19692479
  -OEChem-04242410032D

 76 78  0     1  0  0  0  0  0999 V2000
    7.0010    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4651    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9651    9.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3312    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3312    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3312    9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1972    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3312   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9651    9.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0632    9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1972   11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    4.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4651   10.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0632   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3871    9.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9651   10.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6772    5.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3871    6.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9885    5.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1972    8.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942   10.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6002    9.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1972   11.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2700    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0021   11.0421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1551   11.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9282   10.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6002   10.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2656    4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4685    4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1360    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3810    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6210    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1360    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  2 34  1  0  0  0  0
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  8 10  1  0  0  0  0
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  9 26  1  0  0  0  0
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  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
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 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 21  1  0  0  0  0
 18 54  1  0  0  0  0
 19 22  2  0  0  0  0
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 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
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 22 25  1  0  0  0  0
 22 57  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 58  1  0  0  0  0
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 26 64  1  0  0  0  0
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 37 39  2  0  0  0  0
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 38 40  2  0  0  0  0
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 39 74  1  0  0  0  0
 40 75  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
19692479

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
779

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MAAGAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAABUAAAHgIQAAAADJ7hmCYyAIPABACIAiFSEACCAAAkBQAIikEIDsgKJjKB9xmHMQhk1gGYqYeYyOCOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-[2-(4-acetamido-4-phenyl-1-piperidyl)ethoxy]-2-(3,4-dichlorophenyl)ethyl]-N-methyl-benzamide;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-[2-(4-acetamido-4-phenyl-1-piperidinyl)ethoxy]-2-(3,4-dichlorophenyl)ethyl]-N-methylbenzamide;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-[2-(4-acetamido-4-phenylpiperidin-1-yl)ethoxy]-2-(3,4-dichlorophenyl)ethyl]-<I>N</I>-methylbenzamide;hydrochloride

> <PUBCHEM_IUPAC_NAME>
N-[2-[2-(4-acetamido-4-phenylpiperidin-1-yl)ethoxy]-2-(3,4-dichlorophenyl)ethyl]-N-methylbenzamide;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-[2-(4-acetamido-4-phenyl-piperidin-1-yl)ethoxy]-2-(3,4-dichlorophenyl)ethyl]-N-methyl-benzamide;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[2-(4-acetamido-4-phenyl-piperidino)ethoxy]-2-(3,4-dichlorophenyl)ethyl]-N-methyl-benzamide;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H35Cl2N3O3.ClH/c1-23(37)34-31(26-11-7-4-8-12-26)15-17-36(18-16-31)19-20-39-29(25-13-14-27(32)28(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24;/h3-14,21,29H,15-20,22H2,1-2H3,(H,34,37);1H

> <PUBCHEM_IUPAC_INCHIKEY>
VUCGIJOTWCGKBI-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
603.182225

> <PUBCHEM_MOLECULAR_FORMULA>
C31H36Cl3N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
605.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1(CCN(CC1)CCOC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1(CCN(CC1)CCOC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4.Cl

> <PUBCHEM_CACTVS_TPSA>
61.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
603.182225

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
40

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  18  8
15  19  8
18  21  8
19  22  8
21  25  8
22  25  8
23  26  3
27  28  8
27  29  8
28  32  8
29  33  8
32  34  8
33  34  8
35  36  8
35  37  8
36  38  8
37  39  8
38  40  8
39  40  8

$$$$