69717189
  -OEChem-04262415232D

 52 55  0     1  0  0  0  0  0999 V2000
    8.1962    0.2606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.7635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.7982    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.4260    0.2712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2631    2.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.2843    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5321   -1.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    1.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144   -2.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -2.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -1.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564   -3.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1232    3.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3913    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9243   -2.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285   -1.9043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1957    1.8512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8051    1.1564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4934    1.2010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8839    1.8958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7945   -2.7909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4073   -3.4181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0344   -2.8053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -3.0956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665   -0.6710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.8911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.4181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0540   -3.9110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4663   -1.4864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.5964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4394    2.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6566    3.6072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8071    3.8243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6951    3.8114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8508    3.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    2.7305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4601   -3.1064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 14  2  0  0  0  0
  3 13  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  2  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 23  1  0  0  0  0
 19 38  1  0  0  0  0
 20 24  2  0  0  0  0
 20 39  1  0  0  0  0
 21 25  1  0  0  0  0
 21 40  1  0  0  0  0
 22 26  1  0  0  0  0
 22 41  1  0  0  0  0
 23 29  2  0  0  0  0
 23 42  1  0  0  0  0
 24 29  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  2  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69717189

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
723

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACxQAAAHgAAAAAADCzBmAQyAIMAAACIAqVSUACCAAAkAAAIiAGIBMgIYDKAlTGUIQhghgCIiccZiYCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[2-(dimethylamino)ethyl]-1-methyl-2-phenyl-2H-benzo[g]quinoxaline-3,5,10-trione

> <PUBCHEM_IUPAC_CAS_NAME>
4-[2-(dimethylamino)ethyl]-1-methyl-2-phenyl-2H-benzo[g]quinoxaline-3,5,10-trione

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[2-(dimethylamino)ethyl]-1-methyl-2-phenyl-2<I>H</I>-benzo[g]quinoxaline-3,5,10-trione

> <PUBCHEM_IUPAC_NAME>
4-[2-(dimethylamino)ethyl]-1-methyl-2-phenyl-2H-benzo[g]quinoxaline-3,5,10-trione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[2-(dimethylamino)ethyl]-1-methyl-2-phenyl-2H-benzo[g]quinoxaline-3,5,10-trione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[2-(dimethylamino)ethyl]-1-methyl-2-phenyl-2H-benzo[g]quinoxaline-3,5,10-trione

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H23N3O3/c1-24(2)13-14-26-20-19(21(27)16-11-7-8-12-17(16)22(20)28)25(3)18(23(26)29)15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
DIQZCOIKLUEXFY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
389.17394160

> <PUBCHEM_MOLECULAR_FORMULA>
C23H23N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
389.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C(C(=O)N(C2=C1C(=O)C3=CC=CC=C3C2=O)CCN(C)C)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C(C(=O)N(C2=C1C(=O)C3=CC=CC=C3C2=O)CCN(C)C)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
60.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
389.17394160

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
12  19  8
12  20  8
16  17  8
16  21  8
17  22  8
19  23  8
20  24  8
21  25  8
22  26  8
23  29  8
24  29  8
25  26  8
7  12  3

$$$$