24071300
  -OEChem-05042406352D

 43 45  0     0  0  0  0  0  0999 V2000
    7.2622   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -2.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4742   -1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8728   -0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -3.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -0.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -2.4284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.2762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -3.4999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -0.3801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.6038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -1.4516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7062    1.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0862    0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 28  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  2  3  0  0  0
 12 17  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 39  1  0  0  0  0
 20 22  2  0  0  0  0
 20 40  1  0  0  0  0
 21 23  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24071300

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
502

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQAAAADAiBmAAywILAAACoAyVyVACCAAAhAgAIiAEwdIgIYDLAkZGUIAhglADIyAcYgIAOiAAAQAAQACAQAACAACAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-dimethyl-3-(2-methyl-3-phenyl-allyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-dimethyl-3-(2-methyl-3-phenylprop-2-enyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-dimethyl-3-(2-methyl-3-phenylprop-2-enyl)-1<I>H</I>-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
6,7-dimethyl-3-(2-methyl-3-phenylprop-2-enyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-dimethyl-3-(2-methyl-3-phenyl-prop-2-enyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,7-dimethyl-3-(2-methyl-3-phenyl-allyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H20N2O/c1-13(9-16-7-5-4-6-8-16)10-19-20(23)22-18-12-15(3)14(2)11-17(18)21-19/h4-9,11-12H,10H2,1-3H3,(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
PWLDTOQOLQMKIA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
304.157563266

> <PUBCHEM_MOLECULAR_FORMULA>
C20H20N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
304.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1C)N=C(C(=O)N2)CC(=CC3=CC=CC=C3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1C)N=C(C(=O)N2)CC(=CC3=CC=CC=C3)C

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
304.157563266

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  16  1
18  19  8
18  20  8
19  21  8
2  13  8
2  4  8
20  22  8
21  23  8
22  23  8
3  5  8
3  6  8
4  10  8
4  5  8
5  11  8
6  13  8
8  10  8
8  9  8
9  11  8

$$$$