69615415
  -OEChem-04262411082D

 35 38  0     0  0  0  0  0  0999 V2000
    3.8000    3.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4783   -1.4279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4783   -3.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619   -2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6709   -3.6267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6819   -2.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8421    2.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    3.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    3.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  2  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 18  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  1  0  0  0  0
 11 24  1  0  0  0  0
 12 17  2  0  0  0  0
 12 25  1  0  0  0  0
 13 20  1  0  0  0  0
 13 26  1  0  0  0  0
 14 19  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69615415

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
419

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix0AAAHgAAAAAADAzBnwQ/8L8MEACoA7Z3ZACCgC01EqAJ2CE4dNiIaPLA3dGUJQhogALIyacYiYCeCAAAAAAAACAQAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4-pyrrolo[2,3-b]quinoxalin-9-ylphenyl)ethanone

> <PUBCHEM_IUPAC_CAS_NAME>
1-[4-(9-pyrrolo[2,3-b]quinoxalinyl)phenyl]ethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4-pyrrolo[2,3-b]quinoxalin-9-ylphenyl)ethanone

> <PUBCHEM_IUPAC_NAME>
1-(4-pyrrolo[2,3-b]quinoxalin-9-ylphenyl)ethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(4-pyrrolo[2,3-b]quinoxalin-9-ylphenyl)ethanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4-pyrrolo[2,3-b]quinoxalin-9-ylphenyl)ethanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H13N3O/c1-12(22)13-6-8-14(9-7-13)21-17-5-3-2-4-15(17)20-16-10-11-19-18(16)21/h2-11H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
DIHSSHUEXNVWFH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
287.105862047

> <PUBCHEM_MOLECULAR_FORMULA>
C18H13N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
287.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC=C4

> <PUBCHEM_CACTVS_TPSA>
47.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
287.105862047

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  18  8
11  16  8
12  17  8
13  20  8
14  19  8
15  16  8
15  17  8
18  20  8
2  5  8
2  6  8
3  8  8
3  9  8
4  19  8
4  6  8
5  10  8
5  8  8
7  11  8
7  12  8
8  13  8
9  14  8

$$$$