10146466
  -OEChem-05102409512D

 83 87  0     1  0  0  0  0  0999 V2000
    3.7320    2.6459    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.4641   -5.5502    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.0038    5.9967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641   -2.9522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0962    4.7887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    5.0119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
10146466

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
948

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/sAAHAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAABQAAAHgIQAAAADM7hmCYyAIPABACIAiFSEAACAAAgBQAIisGICogKZjKB9zmXMAAmxgGYqAecyOCOhAAAIAABAAQIAABAAAIACAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-[2-(3,4-dichlorophenyl)-4-[2-(2,3-dichlorophenyl)acetyl]morpholin-2-yl]ethyl]-<I>N</I>-methyl-4-piperidin-1-ylpiperidine-4-carboxamide

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-[4-[2-[2,3-bis(chloranyl)phenyl]ethanoyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N-methyl-4-piperidin-1-yl-piperidine-4-carboxamide

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C32H40Cl4N4O3/c1-37-30(42)31(40-13-3-2-4-14-40)10-15-38(16-11-31)17-12-32(24-8-9-25(33)27(35)21-24)22-39(18-19-43-32)28(41)20-23-6-5-7-26(34)29(23)36/h5-9,21H,2-4,10-20,22H2,1H3,(H,37,42)

> <PUBCHEM_IUPAC_INCHIKEY>
HUJZVXZJEZFIBG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.8

> <PUBCHEM_EXACT_MASS>
670.182502

> <PUBCHEM_MOLECULAR_FORMULA>
C32H40Cl4N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
670.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC(=O)C1(CCN(CC1)CCC2(CN(CCO2)C(=O)CC3=C(C(=CC=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl)N5CCCCC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC(=O)C1(CCN(CC1)CCC2(CN(CCO2)C(=O)CC3=C(C(=CC=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl)N5CCCCC5

> <PUBCHEM_CACTVS_TPSA>
65.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
668.185452

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
43

> <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>
24  23  3
27  31  8
27  32  8
31  35  8
32  36  8
35  37  8
36  37  8
38  39  8
38  40  8
39  41  8
40  42  8
41  43  8
42  43  8

$$$$