10146603
  -OEChem-04252404092D

 86 90  0     1  0  0  0  0  0999 V2000
    3.7320    1.3469    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3469    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    9.4641   -5.1172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.0038    4.6977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641   -1.6531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0962    3.4896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8301    3.7129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641   -2.5192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 44 86  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10146603

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
967

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/sAAHAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAABQAAAHgIAAAAADM7hmCYyAIMABACIAiFSEAACAAAgBQAIikGICogKZjKB9zmXMAAmxgGYqAecyOCOhAAAIACBAAQIAABAAQIACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-[2-(3,4-dichlorophenyl)-4-[2-(2,6-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-(2,6-dichlorophenyl)-1-oxoethyl]-2-morpholinyl]ethyl]-N,N-dimethyl-4-(1-piperidinyl)-4-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-[2-(3,4-dichlorophenyl)-4-[2-(2,6-dichlorophenyl)acetyl]morpholin-2-yl]ethyl]-<I>N</I>,<I>N</I>-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-[2-[2-(3,4-dichlorophenyl)-4-[2-(2,6-dichlorophenyl)acetyl]morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-[4-[2-[2,6-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-(2,6-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(24-9-10-28(36)29(37)21-24)23-40(19-20-44-33)30(42)22-25-26(34)7-6-8-27(25)35/h6-10,21H,3-5,11-20,22-23H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
DBLDDTISJNDPSW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6

> <PUBCHEM_EXACT_MASS>
684.198152

> <PUBCHEM_MOLECULAR_FORMULA>
C33H42Cl4N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
684.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C(=O)C1(CCN(CC1)CCC2(CN(CCO2)C(=O)CC3=C(C=CC=C3Cl)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=C3Cl)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

$$$$