10190135
  -OEChem-06191304262D

 86 90  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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    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
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M  END
> <PUBCHEM_COMPOUND_CID>
10190135

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
977

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/sAAHAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAABQAAAHgIAAAAADM7hmCYyAIMABACIAiFSEAACAAAgBQAIikGICogKZjKB9zmXMAAmxgGYqAecyOCOhAAAIAABAAQIAABAAAIACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-[2-(3,4-dichlorophenyl)-4-[2-(2,3-dichlorophenyl)acetyl]morpholin-2-yl]ethyl]-N,N-dimethyl-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,N-dimethyl-4-(1-piperidinyl)-4-piperidinecarboxamide

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C33H42Cl4N4O3/c1-38(2)31(43)32(41-14-4-3-5-15-41)11-16-39(17-12-32)18-13-33(25-9-10-26(34)28(36)22-25)23-40(19-20-44-33)29(42)21-24-7-6-8-27(35)30(24)37/h6-10,22H,3-5,11-21,23H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
MCMIJZNAHZQAGK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6

> <PUBCHEM_EXACT_MASS>
684.198152

> <PUBCHEM_MOLECULAR_FORMULA>
C33H42Cl4N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
684.52358

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C(=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>
CN(C)C(=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>
56.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
682.201102

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
44

> <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>
25  23  3
27  32  8
27  33  8
32  36  8
33  37  8
36  38  8
37  38  8
39  40  8
39  41  8
40  42  8
41  43  8
42  44  8
43  44  8

$$$$