56695056
  -OEChem-05062417332D

 41 44  0     0  0  0  0  0  0999 V2000
    8.1962    1.3223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    1.3328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.7366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3244   -2.2227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    2.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -1.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -0.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564   -2.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9243   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1957    2.9128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8051    2.2180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.9181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.3219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5908    2.3094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    3.1589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9584    3.3760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.3565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    0.3906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.1310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.5348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0540   -2.8494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4663   -0.4248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4601   -2.0448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3220   -2.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7886   -1.9106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  2  0  0  0  0
  4 18  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  2  0  0  0  0
  8 27  1  0  0  0  0
  9 16  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  2  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  2  0  0  0  0
 15 19  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 21  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  2  0  0  0  0
 19 21  2  0  0  0  0
 19 35  1  0  0  0  0
 20 23  1  0  0  0  0
 20 34  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56695056

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
517

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAADBVAAAHgAQAAAADAjBmAQywMNAAACoAyVyVACCAAAhAgAIiAEodJgIYLLAlZGUIAhglgDIyAcciICOiAAAQAASACAQAACAACQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-aminophenyl)-4-ethyl-benzo[g]quinoxalin-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-aminophenyl)-4-ethyl-3-benzo[g]quinoxalinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-aminophenyl)-4-ethylbenzo[g]quinoxalin-3-one

> <PUBCHEM_IUPAC_NAME>
2-(2-aminophenyl)-4-ethylbenzo[g]quinoxalin-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-aminophenyl)-4-ethyl-benzo[g]quinoxalin-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-aminophenyl)-4-ethyl-benzo[g]quinoxalin-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H17N3O/c1-2-23-18-12-14-8-4-3-7-13(14)11-17(18)22-19(20(23)24)15-9-5-6-10-16(15)21/h3-12H,2,21H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
PMFMGGFHASDDNI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
315.137162174

> <PUBCHEM_MOLECULAR_FORMULA>
C20H17N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
315.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1C2=CC3=CC=CC=C3C=C2N=C(C1=O)C4=CC=CC=C4N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1C2=CC3=CC=CC=C3C=C2N=C(C1=O)C4=CC=CC=C4N

> <PUBCHEM_CACTVS_TPSA>
58.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
315.137162174

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  13  8
10  17  8
11  12  8
14  18  8
14  20  8
15  19  8
17  21  8
18  22  8
19  21  8
2  11  8
2  5  8
20  23  8
22  24  8
23  24  8
3  12  8
3  6  8
5  6  8
5  8  8
6  13  8
7  10  8
7  15  8
7  8  8

$$$$