9808868
  -OEChem-05112423362D

 85 88  0     1  0  0  0  0  0999 V2000
   11.0622    1.9510    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0622    3.6830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5622    6.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0622    3.6830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    5.4151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2189    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5622    1.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5622    1.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5622    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0622    1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5622    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5622    4.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    1.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6962    4.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4282    5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0622    5.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5622    1.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622    1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5622    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4545    1.6955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8722    0.5480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422    1.9510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9407   -2.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2522    3.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522    5.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522    4.8781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -6.3637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2646   -2.3061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4220   -5.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -6.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900   -2.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.8180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 31  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4 24  2  0  0  0  0
  5 25  2  0  0  0  0
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  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 15  1  0  0  0  0
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  9 71  1  0  0  0  0
  9 72  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
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 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 17  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
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 15 51  1  0  0  0  0
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 16 53  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 26  2  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
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 22 62  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 66  1  0  0  0  0
 27 30  2  0  0  0  0
 27 67  1  0  0  0  0
 28 32  1  0  0  0  0
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 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 30 70  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
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 34 36  2  0  0  0  0
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 35 37  2  0  0  0  0
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 36 37  1  0  0  0  0
 36 39  1  0  0  0  0
 37 75  1  0  0  0  0
 38 40  1  0  0  0  0
 38 76  1  0  0  0  0
 38 77  1  0  0  0  0
 39 41  1  0  0  0  0
 39 78  1  0  0  0  0
 39 79  1  0  0  0  0
 40 80  1  0  0  0  0
 40 81  1  0  0  0  0
 40 82  1  0  0  0  0
 41 83  1  0  0  0  0
 41 84  1  0  0  0  0
 41 85  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9808868

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
871

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/sAAGAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAABQAAAHgIQAAAADM7hmCYyAINABACIAiFSEAACAAAgBQAIikGICogKZjKBtzmXMAAmxgGYqAeYyOCOhAACIAAAAAQIAARAAAAACAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C32H44Cl2N4O3/c1-5-23-17-24(6-2)19-25(18-23)20-29(39)37-15-16-41-32(22-37,26-7-8-27(33)28(34)21-26)9-10-36-11-13-38(14-12-36)31(3,4)30(35)40/h7-8,17-19,21H,5-6,9-16,20,22H2,1-4H3,(H2,35,40)

> <PUBCHEM_IUPAC_INCHIKEY>
PDBMZFMTJUNIDQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
602.2790467

> <PUBCHEM_MOLECULAR_FORMULA>
C32H44Cl2N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
603.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=CC(=CC(=C1)CC(=O)N2CCOC(C2)(CCN3CCN(CC3)C(C)(C)C(=O)N)C4=CC(=C(C=C4)Cl)Cl)CC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=CC(=CC(=C1)CC(=O)N2CCOC(C2)(CCN3CCN(CC3)C(C)(C)C(=O)N)C4=CC(=C(C=C4)Cl)Cl)CC

> <PUBCHEM_CACTVS_TPSA>
79.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
602.2790467

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
41

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  3
19  26  8
19  27  8
26  29  8
27  30  8
29  31  8
30  31  8
32  33  8
32  34  8
33  35  8
34  36  8
35  37  8
36  37  8

$$$$