60219111
  -OEChem-04242421072D

 39 42  0     0  0  0  0  0  0999 V2000
    6.7619   -2.5725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8568    0.9334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2506    0.1287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.8404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5938    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4598    1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8783    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5938    2.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3258    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4598    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3258    2.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -1.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445   -1.0525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.3035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0061    1.7463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2716    1.2675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7504    0.5329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -3.1005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -0.3124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0569    2.9105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8628    1.2905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4598    3.7205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8628    2.9105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 26  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  2  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 17  2  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  2  0  0  0  0
 12 14  1  0  0  0  0
 12 19  2  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 31  1  0  0  0  0
 15 20  1  0  0  0  0
 15 32  1  0  0  0  0
 17 21  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60219111

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
443

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB/gAAHgAQAAAADAjBnwQz0PfNkACoAydydACCgC0nEqAJ2aG4dNiIaPLAnbGUIQholgLIyacYiYCeAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(1-methylbenzimidazol-2-yl)methyl]-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(1-methyl-2-benzimidazolyl)methyl]-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(1-methylbenzimidazol-2-yl)methyl]-1<I>H</I>-indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[(1-methylbenzimidazol-2-yl)methyl]-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(1-methylbenzimidazol-2-yl)methyl]-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(1-methylbenzimidazol-2-yl)methyl]-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16N4O/c1-22-16-9-5-4-8-14(16)21-17(22)11-19-18(23)15-10-12-6-2-3-7-13(12)20-15/h2-10,20H,11H2,1H3,(H,19,23)

> <PUBCHEM_IUPAC_INCHIKEY>
LSIOMOLLLBFQRD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
304.13241115

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
304.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=CC=CC=C2N=C1CNC(=O)C3=CC4=CC=CC=C4N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=CC=CC=C2N=C1CNC(=O)C3=CC4=CC=CC=C4N3

> <PUBCHEM_CACTVS_TPSA>
62.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
304.13241115

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  14  8
11  12  8
11  18  8
12  14  8
12  19  8
15  20  8
17  21  8
18  22  8
19  23  8
2  6  8
2  7  8
20  21  8
22  23  8
3  6  8
3  9  8
5  10  8
5  11  8
7  15  8
7  9  8
9  17  8

$$$$