70186290
  -OEChem-05082423322D

 79 81  0     1  0  0  0  0  0999 V2000
    9.8671    5.7331    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8671    7.7331    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3070    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    5.7331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8049    8.2331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9030    3.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   10.2331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4040    6.3070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    8.2331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    4.0010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0369   11.0991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369   10.2331    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4030    5.7331    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4030    9.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    6.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    8.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    7.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9030    4.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3030   10.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    6.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9030    4.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1293   11.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2427   10.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1350    5.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9030    3.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0369   11.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8954   12.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0087   11.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0010    6.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1350    7.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   11.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8351   12.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0010    7.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4030    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 43 76  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70186290

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
940

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/OAAGAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAAABUAAAHgIQCAAADM7hmCYyAIPABACIAiFSEACCAAAkBQAIikEIDsgKJjqB9xmHMQhm1gGYqYeYyeCOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

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

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

> <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;hydrate;hydrochloride

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

> <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;hydrate;hydrochloride

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C32H33Cl2N3O4.ClH.H2O/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);1H;1H2

> <PUBCHEM_IUPAC_INCHIKEY>
LEVDXYUHUHWTPC-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
647.172054

> <PUBCHEM_MOLECULAR_FORMULA>
C32H36Cl3N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
649.0

> <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.O.Cl

> <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.O.Cl

> <PUBCHEM_CACTVS_TPSA>
80

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
647.172054

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
43

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  11  3
13  15  3
21  25  8
21  26  8
22  27  8
22  28  8
25  31  8
26  32  8
27  33  8
28  34  8
31  37  8
32  37  8
33  38  8
34  38  8
35  39  8
35  40  8
39  41  8
40  42  8
41  43  8
42  43  8

$$$$