66786395
  -OEChem-04262403292D

 46 49  0     1  0  0  0  0  0999 V2000
    7.7619    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    2.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.2320    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7619   -2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9519   -0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793   -2.3101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695   -2.7087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695    0.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793   -0.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -2.7087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445   -2.3101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368   -1.6306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368   -0.8335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    0.1620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9519   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9519    2.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719    2.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3819    1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 20  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 36  1  0  0  0  0
  5 12  2  0  0  0  0
  5 15  1  0  0  0  0
  6 13  1  0  0  0  0
  6 20  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  2  0  0  0  0
 23 43  1  0  0  0  0
 24 26  2  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66786395

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
520

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADQjBnwQx0LfJkACoAydydACCgC2lEqAJmSE4dNiIaLLA3ZGUIQholyLIyacYiACOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(1H-benzimidazol-2-yl)-N-benzoyl-piperidine-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-(1H-benzimidazol-2-yl)-N-benzoyl-1-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(1<I>H</I>-benzimidazol-2-yl)-<I>N</I>-benzoylpiperidine-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
3-(1H-benzimidazol-2-yl)-N-benzoylpiperidine-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(1H-benzimidazol-2-yl)-N-(phenylcarbonyl)piperidine-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(1H-benzimidazol-2-yl)-N-benzoyl-piperidine-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H20N4O2/c25-19(14-7-2-1-3-8-14)23-20(26)24-12-6-9-15(13-24)18-21-16-10-4-5-11-17(16)22-18/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,21,22)(H,23,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
SZPLVHJRMFDURB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
348.15862589

> <PUBCHEM_MOLECULAR_FORMULA>
C20H20N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
348.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(CN(C1)C(=O)NC(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(CN(C1)C(=O)NC(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4N3

> <PUBCHEM_CACTVS_TPSA>
78.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
348.15862589

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8
4  12  8
4  14  8
5  12  8
5  15  8
7  12  3

$$$$