67625268
  -OEChem-05122423062D

 74 77  0     1  0  0  0  0  0999 V2000
   10.0011    7.3520    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0011    9.0841    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7755    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5011    6.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4923    5.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5992    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9087    8.1136    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.0011    5.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1351    5.1200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8671    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1351    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0011    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7351    7.1289    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5011    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7954    6.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0293    7.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1426    8.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2030    8.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8484    8.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5011    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0011    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0011    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5011    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0220    9.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5370    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5011    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    3.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5992    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5992    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5245    4.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9230    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6026    3.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3996    3.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6274    6.5183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3204    6.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1054    6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4467    7.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7193    6.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6176    9.1549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8327    9.2934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    9.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5830    8.4145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8817    5.7784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9560    7.8451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4684    8.4556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8111    5.9491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3811    7.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    5.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1911    8.7550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6326    9.3328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1297   10.0510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4114    9.5481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0001    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1361    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3302    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1361    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3302    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    4.7755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 33  1  0  0  0  0
  3 74  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
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  8 22  1  0  0  0  0
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  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
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 15 23  2  0  0  0  0
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 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 29  1  0  0  0  0
 22 30  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 27  1  0  0  0  0
 23 58  1  0  0  0  0
 24 28  2  0  0  0  0
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 25 60  1  0  0  0  0
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 27 33  2  0  0  0  0
 28 33  1  0  0  0  0
 28 62  1  0  0  0  0
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 30 64  1  0  0  0  0
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 31 66  1  0  0  0  0
 32 34  1  0  0  0  0
 32 67  1  0  0  0  0
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 35 37  1  0  0  0  0
 35 69  1  0  0  0  0
 36 38  2  0  0  0  0
 36 70  1  0  0  0  0
 37 39  2  0  0  0  0
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 38 39  1  0  0  0  0
 38 72  1  0  0  0  0
 39 73  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67625268

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
789

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MAAGAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAAABUAAAHgIACAAADEbhmCYyAIMABgCIAiFSEACCAAAkBQAIikEIDsgLJjKBtxmPcQhmxgGbuYe42OKOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-hydroxy-4-phenylpiperidin-1-yl]-phenylmethanone;hydrochloride

> <PUBCHEM_IUPAC_NAME>
[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-hydroxy-4-phenylpiperidin-1-yl]-phenylmethanone;hydrochloride

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[3-(3,4-dichlorophenyl)-3-[(1-ethyl-2-piperidyl)oxy]-4-hydroxy-4-phenyl-piperidino]-phenyl-methanone;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H34Cl2N2O3.ClH/c1-2-34-19-10-9-15-28(34)38-31(25-16-17-26(32)27(33)21-25)22-35(29(36)23-11-5-3-6-12-23)20-18-30(31,37)24-13-7-4-8-14-24;/h3-8,11-14,16-17,21,28,37H,2,9-10,15,18-20,22H2,1H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
ZNAUWBULGHJHHF-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
588.171326

> <PUBCHEM_MOLECULAR_FORMULA>
C31H35Cl3N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
590.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1CCCCC1OC2(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>
CCN1CCCCC1OC2(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>
3

> <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>
15  23  8
15  24  8
16  25  8
16  26  8
23  27  8
24  28  8
25  31  8
26  32  8
27  33  8
28  33  8
29  35  8
29  36  8
31  34  8
32  34  8
35  37  8
36  38  8
37  39  8
38  39  8
14  4  3
9  4  3
10  5  3

$$$$