53383509
  -OEChem-06191304242D

 43 47  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    0.6808    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
    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
    5.0749    1.6808    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
    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
    4.2088    2.1808    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
    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
    8.6069    1.7016    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
    6.4969   -1.8562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3439   -1.6292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1169   -0.7823    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
    7.6937   -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
    9.1427    2.0136    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 18  1  0  0  0  0
  2 27  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  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 32  1  0  0  0  0
  5  8  2  0  0  0  0
  5 15  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  2  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  1  0  0  0  0
 12 17  2  0  0  0  0
 13 15  1  0  0  0  0
 13 19  2  0  0  0  0
 14 18  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 33  1  0  0  0  0
 17 22  1  0  0  0  0
 17 34  1  0  0  0  0
 18 25  2  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 20 24  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  2  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383509

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
609

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWJAAAAwYIAAAAAAAFiB/AAAHgAQAAAACCzhlwYz1LfJlECoAa9y9ASCiC2lMqAJmSE+fNiMbr7MvZuWOSju9hPI6aeYSAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H16N4O2/c1-13(20-23-14-7-2-3-8-15(14)24-20)25-17-10-5-4-9-16(17)22-19(21(25)26)18-11-6-12-27-18/h2-13H,1H3,(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
FWFPEWOIFMONTB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
356.127326

> <PUBCHEM_MOLECULAR_FORMULA>
C21H16N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
356.37734

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=NC2=CC=CC=C2N1)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1=NC2=CC=CC=C2N1)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
74.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
356.127326

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

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

$$$$