18677187
  -OEChem-04242416102D

 82 84  0     1  0  0  0  0  0999 V2000
   11.7331    8.3520    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7331   10.0841    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0911    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2331   12.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7331    8.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    5.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7331   11.8162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331   10.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2331   10.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7331   10.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2331    9.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    9.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    8.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    7.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    6.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2331    7.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3671   10.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0991   11.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7331   11.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2331    7.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2331    7.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    8.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7331    8.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2331    9.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2331    9.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431   10.6210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3157   10.2962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6254   10.6947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7581    8.8196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1505    8.1400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6550    6.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2565    6.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3346    4.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1316    4.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8112    4.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2097    5.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4231   12.3531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4231   11.2792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5431    6.9491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1131    8.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2131    3.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6116    3.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9231    9.7550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    4.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0000    6.0911    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 82  1  0  0  0  0
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  9 66  1  0  0  0  0
  9 67  1  0  0  0  0
 10 11  1  0  0  0  0
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 17 23  1  0  0  0  0
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 18 53  1  0  0  0  0
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 37 40  1  0  0  0  0
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 39 76  1  0  0  0  0
 39 77  1  0  0  0  0
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 40 81  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
18677187

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
839

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MAAGAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAABQAAAHgIQAAAAD0bhmCYyAINABACIAiFSEAACAAAgBQAIikEICogKJjKBtxmHMAAmxgGYqAeYyeCPhAACIAAAAAQIAARAAAAACAAAAAAAAA==

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H41Cl2N3O3.ClH/c1-21-15-22(2)17-23(16-21)18-28(37)36-13-14-39-31(20-36,25-5-6-26(32)27(33)19-25)9-12-35-10-7-24(8-11-35)30(3,4)29(34)38;/h5-6,15-17,19,24H,7-14,18,20H2,1-4H3,(H2,34,38);1H

> <PUBCHEM_IUPAC_INCHIKEY>
FBDPDEKLEOCDEJ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
609.229175

> <PUBCHEM_MOLECULAR_FORMULA>
C31H42Cl3N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
611.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC(=C1)CC(=O)N2CCOC(C2)(CCN3CCC(CC3)C(C)(C)C(=O)N)C4=CC(=C(C=C4)Cl)Cl)C.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC(=C1)CC(=O)N2CCOC(C2)(CCN3CCC(CC3)C(C)(C)C(=O)N)C4=CC(=C(C=C4)Cl)Cl)C.Cl

> <PUBCHEM_CACTVS_TPSA>
75.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
609.229175

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
40

> <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

$$$$