54738908
  -OEChem-04252406032D

 44 46  0     0  0  0  0  0  0999 V2000
    5.5301    1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817    1.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618   -2.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7889   -2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4017   -2.2601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4017    1.7947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7889    2.4218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618    1.8091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -0.7211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -1.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121    1.3272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.1035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879    0.2557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9101   -2.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1501   -2.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932    2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    0.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 39  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  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 40  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 23  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54738908

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
506

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAACAAADAyBmAQywIMAAgCIAiVSUACCAAAhIAAIiAEITMgIJjLAlZGEcAhmxgHI2QeYyPCOyAACQAASAACQAASAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxy-1,5,6,7,8-pentamethyl-3-phenyl-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-1,5,6,7,8-pentamethyl-3-phenyl-2-quinolinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxy-1,5,6,7,8-pentamethyl-3-phenylquinolin-2-one

> <PUBCHEM_IUPAC_NAME>
4-hydroxy-1,5,6,7,8-pentamethyl-3-phenylquinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,5,6,7,8-pentamethyl-4-oxidanyl-3-phenyl-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxy-1,5,6,7,8-pentamethyl-3-phenyl-carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H21NO2/c1-11-12(2)14(4)18-16(13(11)3)19(22)17(20(23)21(18)5)15-9-7-6-8-10-15/h6-10,22H,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
IPBFDRIBOBNSAT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
307.157228913

> <PUBCHEM_MOLECULAR_FORMULA>
C20H21NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
307.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=C2C(=C1C)C(=C(C(=O)N2C)C3=CC=CC=C3)O)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=C2C(=C1C)C(=C(C(=O)N2C)C3=CC=CC=C3)O)C)C

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
307.157228913

> <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>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
11  12  8
18  19  8
18  20  8
19  21  8
20  22  8
21  23  8
22  23  8
3  12  8
3  4  8
4  5  8
4  6  8
5  10  8
5  7  8
6  8  8
7  9  8
8  9  8

$$$$