69250750
  -OEChem-06191306592D

 84 86  0     1  0  0  0  0  0999 V2000
    9.4914    7.3520    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    9.0841    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.4914    4.6020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.4914    7.1020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3574    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8486   10.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8933    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5066    9.2578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4914    7.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574   10.5841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6253    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    9.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9914    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4914    9.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9914    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1645   10.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637    8.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9914    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914   10.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790    8.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1797   10.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9914    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4914    5.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5369    9.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6253    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9914    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3574    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4914    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574   11.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9914    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4914    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7593    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9914    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7593    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9914    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6253    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8933    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6253    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8933    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7593    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8943   10.2741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0928    3.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8899    3.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9774   11.5841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574   12.2041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7374   11.5841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4914    7.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 37  1  0  0  0  0
  3 83  1  0  0  0  0
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 11 26  1  0  0  0  0
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 42 82  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69250750

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
858

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAHAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAABQAAAHgIQAAAADM7hmCYyAIPABACIAiFSEACCAAAkBQAIisGIDsgKZjKB9zmXMQhmxgGYqYecyOCOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N-methyl-4-(1-piperidyl)piperidine-4-carboxamide;dihydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-N-methyl-4-(1-piperidinyl)-4-piperidinecarboxamide;dihydrochloride

> <PUBCHEM_IUPAC_NAME>
1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N-methyl-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-[2-(3,4-dichlorophenyl)-4-(phenylcarbonyl)morpholin-2-yl]ethyl]-N-methyl-4-piperidin-1-yl-piperidine-4-carboxamide;dihydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N-methyl-4-piperidino-isonipecotamide;dihydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H40Cl2N4O3.2ClH/c1-34-29(39)30(37-15-6-3-7-16-37)12-17-35(18-13-30)19-14-31(25-10-11-26(32)27(33)22-25)23-36(20-21-40-31)28(38)24-8-4-2-5-9-24;;/h2,4-5,8-11,22H,3,6-7,12-21,23H2,1H3,(H,34,39);2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
SQYNWXBUBWTGCY-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
660.198152

> <PUBCHEM_MOLECULAR_FORMULA>
C31H42Cl4N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
660.50218

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC(=O)C1(CCN(CC1)CCC2(CN(CCO2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)N5CCCCC5.Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC(=O)C1(CCN(CC1)CCC2(CN(CCO2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)N5CCCCC5.Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
65.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
658.201102

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
24  23  3
27  31  8
27  32  8
31  34  8
32  35  8
34  37  8
35  37  8
36  38  8
36  39  8
38  40  8
39  41  8
40  42  8
41  42  8

$$$$