67625266
  -OEChem-04192416362D

 74 77  0     1  0  0  0  0  0999 V2000
   10.4860    7.3520    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4860    9.0841    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0304    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9860    6.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200    5.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0841    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3520    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9860    8.2181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4860    5.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6200    5.1200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    8.3520    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4860    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9860    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9860    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4860    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2181    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4860    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200    4.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200    5.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4860    9.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9860    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9860    9.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4860    9.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9860    9.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2181    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4860    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6200    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0841    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4300    6.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4300    6.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8784    7.6075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0937   10.5607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4034   10.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9610    8.6856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9610    9.4826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5686   10.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8100    3.7170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6210    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2 33  1  0  0  0  0
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  9 14  1  0  0  0  0
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 16 47  1  0  0  0  0
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 21 31  1  0  0  0  0
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 23 25  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
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 39 73  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67625266

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
768

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MAAGAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAAABUAAAHgIACAAADEbhmCYwAIMABgCIAiFSEACCAAAkBQAIikEIDsgLJjKBtxmHcQhmxgGbuYe4yOCOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[3-(3,4-dichlorophenyl)-4-hydroxy-4-phenyl-3-[2-(1-piperidyl)ethoxy]-1-piperidyl]-phenyl-methanone;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
[3-(3,4-dichlorophenyl)-4-hydroxy-4-phenyl-3-[2-(1-piperidinyl)ethoxy]-1-piperidinyl]-phenylmethanone;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
[3-(3,4-dichlorophenyl)-4-hydroxy-4-phenyl-3-(2-piperidin-1-ylethoxy)piperidin-1-yl]-phenylmethanone;hydrochloride

> <PUBCHEM_IUPAC_NAME>
[3-(3,4-dichlorophenyl)-4-hydroxy-4-phenyl-3-(2-piperidin-1-ylethoxy)piperidin-1-yl]-phenylmethanone;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[3-(3,4-dichlorophenyl)-4-oxidanyl-4-phenyl-3-(2-piperidin-1-ylethoxy)piperidin-1-yl]-phenyl-methanone;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[3-(3,4-dichlorophenyl)-4-hydroxy-4-phenyl-3-(2-piperidinoethoxy)piperidino]-phenyl-methanone;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H34Cl2N2O3.ClH/c32-27-15-14-26(22-28(27)33)31(38-21-20-34-17-8-3-9-18-34)23-35(29(36)24-10-4-1-5-11-24)19-16-30(31,37)25-12-6-2-7-13-25;/h1-2,4-7,10-15,22,37H,3,8-9,16-21,23H2;1H

> <PUBCHEM_IUPAC_INCHIKEY>
RDPUYTOEMUNFLE-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
588.171326

> <PUBCHEM_MOLECULAR_FORMULA>
C31H35Cl3N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
590.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(CC1)CCOC2(CN(CCC2(C3=CC=CC=C3)O)C(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(CC1)CCOC2(CN(CCC2(C3=CC=CC=C3)O)C(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
53

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
588.171326

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
39

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  19  8
14  20  8
15  21  8
15  22  8
19  29  8
20  30  8
21  31  8
22  32  8
28  35  8
28  36  8
29  33  8
30  33  8
31  34  8
32  34  8
35  37  8
36  38  8
37  39  8
38  39  8
9  4  3
10  5  3

$$$$