70186291
  -OEChem-05122408492D

 74 78  0     1  0  0  0  0  0999 V2000
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    2.0000    3.7129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.7129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -2.5192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.5789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
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 22 58  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
70186291

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
940

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/OAAGAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAAABUAAAHgIQAAAADM7hmCYyAIPABACIAiFSEACCAAAkBQAIikEIDsgKJjqB9xmHMQhm1gGYqYeYyeCOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-2-oxo-4-phenyl-4-piperidyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-2-oxo-4-phenyl-4-piperidinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-2-oxo-4-phenylpiperidin-4-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-2-oxo-4-phenylpiperidin-4-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-[2-[2-(3,4-dichlorophenyl)-4-(phenylcarbonyl)morpholin-2-yl]ethyl]-2-oxidanylidene-4-phenyl-piperidin-4-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-2-keto-4-phenyl-4-piperidyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C32H33Cl2N3O4/c1-23(38)35-31(25-10-6-3-7-11-25)14-16-36(29(39)21-31)17-15-32(26-12-13-27(33)28(34)20-26)22-37(18-19-41-32)30(40)24-8-4-2-5-9-24/h2-13,20H,14-19,21-22H2,1H3,(H,35,38)

> <PUBCHEM_IUPAC_INCHIKEY>
NOMADROWNGVQSX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
593.1848119

> <PUBCHEM_MOLECULAR_FORMULA>
C32H33Cl2N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
594.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1(CCN(C(=O)C1)CCC2(CN(CCO2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1(CCN(C(=O)C1)CCC2(CN(CCO2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
79

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
593.1848119

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
41

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
11  13  3
19  23  8
19  24  8
20  25  8
20  26  8
23  29  8
24  30  8
25  31  8
26  32  8
29  35  8
30  35  8
31  36  8
32  36  8
33  37  8
33  38  8
37  39  8
38  40  8
39  41  8
40  41  8
10  9  3

$$$$