46883509
  -OEChem-04262409122D

 57 60  0     1  0  0  0  0  0999 V2000
   10.0622   -5.5490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    1.4510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -0.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.9510    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8660    3.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    2.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    0.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    5.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981   -2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641   -1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301   -2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641   -3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1962   -3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1962   -4.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622   -2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622   -4.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9282   -3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9282   -4.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2646    3.9259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4675    3.9259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894    2.0586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7880    1.3684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3426    2.8433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9441    3.5336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9441    1.3684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3426    2.0586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800    2.9510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    3.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2690    0.2610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    6.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    4.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    6.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1215   -0.9414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5200   -1.6316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611   -2.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641   -0.4290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641   -3.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671   -1.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6592   -4.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622   -1.9290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4651   -2.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4651   -4.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 12  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  4 44  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 13 15  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  2  0  0  0  0
 14 43  1  0  0  0  0
 15 17  2  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 50  1  0  0  0  0
 21 24  2  0  0  0  0
 21 51  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 54  1  0  0  0  0
 27 29  2  0  0  0  0
 27 55  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46883509

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
555

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAEAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAABUAAAHgIQAAAADgLBGCQzAIPAAACIAiBCEACCAAAgBQAIiIAIBoiIICKBkxGEIAhohgKIiAcQgMAPwAAAIAAAAACAAABAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenyl-piperidine-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenyl-1-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenyl-piperidine-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(3-chlorophenyl)benzyl]-3-methyl-3-phenyl-piperidine-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H27ClN2O/c1-26(23-8-3-2-4-9-23)15-6-16-29(19-26)25(30)28-18-20-11-13-21(14-12-20)22-7-5-10-24(27)17-22/h2-5,7-14,17H,6,15-16,18-19H2,1H3,(H,28,30)

> <PUBCHEM_IUPAC_INCHIKEY>
SFAHBRRRIPXYTB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.1

> <PUBCHEM_EXACT_MASS>
418.1811912

> <PUBCHEM_MOLECULAR_FORMULA>
C26H27ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
419.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCN(C1)C(=O)NCC2=CC=C(C=C2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCCN(C1)C(=O)NCC2=CC=C(C=C2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
32.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
418.1811912

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
10  13  8
10  14  8
13  15  8
14  16  8
15  17  8
16  17  8
19  20  8
19  21  8
20  23  8
21  24  8
22  23  8
22  24  8
25  26  8
25  27  8
26  28  8
27  29  8
28  30  8
29  30  8
5  11  3

$$$$