53383504
  -OEChem-04262408332D

 51 56  0     1  0  0  0  0  0999 V2000
    6.3981    0.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.0320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6351   -2.4568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4398   -1.0629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.0320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -0.9680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.5320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.9680    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5321   -1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6069   -2.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1069   -1.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1069   -3.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1069   -1.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -2.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1069   -3.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069   -2.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -2.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030   -0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1736   -2.8708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.6226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369   -2.7780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.6866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7969   -4.0689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4169   -1.2630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.1991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.8649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -3.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4169   -4.0689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2269   -2.6660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -1.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -2.7780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    3.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    3.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 14  1  0  0  0  0
  3 35  1  0  0  0  0
  4  9  2  0  0  0  0
  4 16  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  2  0  0  0  0
  6 11  1  0  0  0  0
  6 28  2  0  0  0  0
  7 31  1  0  0  0  0
  7 33  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 34  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 15  1  0  0  0  0
 13 19  2  0  0  0  0
 14 16  1  0  0  0  0
 14 21  2  0  0  0  0
 15 20  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 17 36  1  0  0  0  0
 18 25  1  0  0  0  0
 18 37  1  0  0  0  0
 19 24  1  0  0  0  0
 19 38  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  2  0  0  0  0
 21 26  1  0  0  0  0
 21 39  1  0  0  0  0
 22 27  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 29  2  0  0  0  0
 25 43  1  0  0  0  0
 26 27  2  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
 30 32  2  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
 32 33  1  0  0  0  0
 32 50  1  0  0  0  0
 33 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383504

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
742

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8eIECAAAAAFiB/gAAHgAQAAAADCjBnwQ90LfJkACoAzd3dACCgC2xEqAJ2SE4dJiIaPLA3ZGUIAholgLIyCcciAAOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[1H-benzimidazol-2-yl(2-pyridyl)methyl]-3-(3-pyridyl)quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[1H-benzimidazol-2-yl(2-pyridinyl)methyl]-3-(3-pyridinyl)-2-quinoxalinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[1<I>H</I>-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-pyridin-3-ylquinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-pyridin-3-ylquinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-pyridin-3-yl-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[1H-benzimidazol-2-yl(2-pyridyl)methyl]-3-(3-pyridyl)quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H18N6O/c33-26-23(17-8-7-14-27-16-17)29-20-11-3-4-13-22(20)32(26)24(21-12-5-6-15-28-21)25-30-18-9-1-2-10-19(18)31-25/h1-16,24H,(H,30,31)

> <PUBCHEM_IUPAC_INCHIKEY>
XIQWOOBWCMRUPK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
430.15420922

> <PUBCHEM_MOLECULAR_FORMULA>
C26H18N6O

> <PUBCHEM_MOLECULAR_WEIGHT>
430.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)NC(=N2)C(C3=CC=CC=N3)N4C5=CC=CC=C5N=C(C4=O)C6=CN=CC=C6

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)NC(=N2)C(C3=CC=CC=N3)N4C5=CC=CC=C5N=C(C4=O)C6=CN=CC=C6

> <PUBCHEM_CACTVS_TPSA>
87.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
430.15420922

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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  17  8
11  18  8
12  15  8
13  19  8
14  16  8
14  21  8
16  22  8
17  23  8
18  25  8
19  24  8
2  10  8
2  12  8
20  30  8
20  31  8
21  26  8
22  27  8
23  24  8
25  29  8
26  27  8
28  29  8
3  14  8
3  9  8
30  32  8
32  33  8
4  16  8
4  9  8
5  13  8
5  15  8
6  11  8
6  28  8
7  31  8
7  33  8
8  11  3

$$$$