18677177
  -OEChem-04252406482D

 88 90  0     1  0  0  0  0  0999 V2000
   12.5991    8.7690    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5991   10.5010    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2996    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4651    6.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0991   13.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    5.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5991    8.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    5.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5991   12.2331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991   10.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0991   11.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5991   10.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0991    9.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    9.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    8.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    7.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    7.0369    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0991    7.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2331   10.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9651   11.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5991   12.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0991    7.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0991    7.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    8.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5991    8.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0991    9.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0991    9.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9091   11.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1817   10.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4914   11.1116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6242   10.0335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6242    9.2365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5741    9.2365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5741   10.0335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0165    8.5569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7068    8.1584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5165    7.6909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2068    7.2924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6817    8.1150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9914    8.5135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9231   11.4040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6962   10.5571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5431   10.3301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751   11.3301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5021   12.1771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6551   12.4040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5210    7.1195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1225    6.4293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2006    4.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9976    4.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6772    4.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0757    5.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2891   12.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2891   11.6962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4091    7.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9791    8.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0791    3.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    4.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7891   10.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5380    2.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    4.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3471    0.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7456    1.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8015    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0044    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5790    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2269    4.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8469    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    6.2996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 32  1  0  0  0  0
  3 88  1  0  0  0  0
  4 17  1  0  0  0  0
  4 25  1  0  0  0  0
  5 22  2  0  0  0  0
  6 28  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 21  1  0  0  0  0
  8 24  1  0  0  0  0
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  9 68  1  0  0  0  0
  9 69  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 10 43  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
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 12 14  1  0  0  0  0
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 13 15  1  0  0  0  0
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 14 48  1  0  0  0  0
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 16 18  1  0  0  0  0
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 17 23  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 56  1  0  0  0  0
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 19 58  1  0  0  0  0
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 20 60  1  0  0  0  0
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 21 62  1  0  0  0  0
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 23 26  2  0  0  0  0
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 24 25  1  0  0  0  0
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 25 67  1  0  0  0  0
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 26 70  1  0  0  0  0
 27 31  2  0  0  0  0
 27 71  1  0  0  0  0
 28 29  1  0  0  0  0
 29 33  1  0  0  0  0
 29 72  1  0  0  0  0
 29 73  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 74  1  0  0  0  0
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 37 40  1  0  0  0  0
 38 77  1  0  0  0  0
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 41 83  1  0  0  0  0
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 42 86  1  0  0  0  0
 42 87  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
18677177

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
868

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/MAAGAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAABQAAAHgIQAAAAD0bhmCYyAINABACIAiFSEAACAAAgBQAIikEICogKJjKBtxmHMAAmxgGYqAeYyeCPhAACIAAAAAQIAARAAAAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[1-[2-[2-(3,4-dichlorophenyl)-4-[2-(3,5-diethylphenyl)acetyl]morpholin-2-yl]ethyl]-4-piperidyl]-2-methyl-propanamide;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-[1-[2-[2-(3,4-dichlorophenyl)-4-[2-(3,5-diethylphenyl)-1-oxoethyl]-2-morpholinyl]ethyl]-4-piperidinyl]-2-methylpropanamide;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[1-[2-[2-(3,4-dichlorophenyl)-4-[2-(3,5-diethylphenyl)acetyl]morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide;hydrochloride

> <PUBCHEM_IUPAC_NAME>
2-[1-[2-[2-(3,4-dichlorophenyl)-4-[2-(3,5-diethylphenyl)acetyl]morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[1-[2-[2-(3,4-dichlorophenyl)-4-[2-(3,5-diethylphenyl)ethanoyl]morpholin-2-yl]ethyl]piperidin-4-yl]-2-methyl-propanamide;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[1-[2-[2-(3,4-dichlorophenyl)-4-[2-(3,5-diethylphenyl)acetyl]morpholin-2-yl]ethyl]-4-piperidyl]-2-methyl-propionamide;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C33H45Cl2N3O3.ClH/c1-5-23-17-24(6-2)19-25(18-23)20-30(39)38-15-16-41-33(22-38,27-7-8-28(34)29(35)21-27)11-14-37-12-9-26(10-13-37)32(3,4)31(36)40;/h7-8,17-19,21,26H,5-6,9-16,20,22H2,1-4H3,(H2,36,40);1H

> <PUBCHEM_IUPAC_INCHIKEY>
PGIBJUIQNMDPPM-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
637.260475

> <PUBCHEM_MOLECULAR_FORMULA>
C33H46Cl3N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
639.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=CC(=CC(=C1)CC(=O)N2CCOC(C2)(CCN3CCC(CC3)C(C)(C)C(=O)N)C4=CC(=C(C=C4)Cl)Cl)CC.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=CC(=CC(=C1)CC(=O)N2CCOC(C2)(CCN3CCC(CC3)C(C)(C)C(=O)N)C4=CC(=C(C=C4)Cl)Cl)CC.Cl

> <PUBCHEM_CACTVS_TPSA>
75.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
637.260475

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
42

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
17  18  3
23  26  8
23  27  8
26  30  8
27  31  8
30  32  8
31  32  8
33  34  8
33  35  8
34  36  8
35  37  8
36  38  8
37  38  8

$$$$