53383494
  -OEChem-06191319292D

 50 55  0     1  0  0  0  0  0999 V2000
    4.2088    0.1808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1043    3.1753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9409    0.1808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9718   -2.3080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1671   -0.9141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9409    2.1808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9409   -0.8192    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0749   -1.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8069   -1.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8069    0.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0749    0.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8069    1.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0749    1.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6730   -0.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8069   -2.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7009    0.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7009    2.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2088    2.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069    0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5390   -1.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6730   -2.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069    1.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5390   -2.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2953    1.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6262    2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1262    3.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4778   -0.5092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4333   -2.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6730   -0.1992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700   -2.6292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6937   -0.4739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6937    2.8354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -3.9201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.1142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1427    0.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0759   -1.0092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6730   -3.4392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1427    2.0136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0759   -2.6292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -3.9201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.5172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1664    1.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0096    2.4524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8740    3.9496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 21  1  0  0  0  0
  2 32  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 34  1  0  0  0  0
  5  8  2  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 33  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  2  0  0  0  0
 11 15  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 22  2  0  0  0  0
 15 21  1  0  0  0  0
 16 24  1  0  0  0  0
 16 35  1  0  0  0  0
 17 25  2  0  0  0  0
 17 36  1  0  0  0  0
 18 23  1  0  0  0  0
 18 37  1  0  0  0  0
 19 26  1  0  0  0  0
 19 38  1  0  0  0  0
 20 28  1  0  0  0  0
 20 39  1  0  0  0  0
 21 30  2  0  0  0  0
 22 29  1  0  0  0  0
 22 40  1  0  0  0  0
 23 26  2  0  0  0  0
 23 41  1  0  0  0  0
 24 27  2  0  0  0  0
 24 42  1  0  0  0  0
 25 27  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 29  2  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
 30 31  1  0  0  0  0
 30 48  1  0  0  0  0
 31 32  2  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383494

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
721

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWJAAAAwYMEAAAAAAFiB/AAAHgAQAAAADCzhnwYx1LfJlECoA69y9ASCiC2lMqAJmSE+fNiMbr7MvZuWOSju9hPI6aeYyIAOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME>
1-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(furan-2-yl)quinoxalin-2-one

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H18N4O2/c31-26-23(22-15-8-16-32-22)27-20-13-6-7-14-21(20)30(26)24(17-9-2-1-3-10-17)25-28-18-11-4-5-12-19(18)29-25/h1-16,24H,(H,28,29)

> <PUBCHEM_IUPAC_INCHIKEY>
QSZPNIGPXGQTSF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
418.142976

> <PUBCHEM_MOLECULAR_FORMULA>
C26H18N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
418.44672

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6

> <PUBCHEM_CACTVS_TPSA>
74.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
418.142976

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

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

$$$$