57682513
  -OEChem-04162416132D

 45 47  0     1  0  0  0  0  0999 V2000
    6.3981   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2641    0.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741   -0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.0954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.9171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 15  2  0  0  0  0
  3  7  1  0  0  0  0
  8  3  1  6  0  0  0
  3 28  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  2  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 20  2  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 21  1  0  0  0  0
 17 35  1  0  0  0  0
 18 23  1  0  0  0  0
 18 36  1  0  0  0  0
 19 24  2  0  0  0  0
 19 37  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 25  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57682513

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
542

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQAAAADCjBmAQywIPAAACoAyVyVACCAAAhAgAIiIG4dIgIYDrA1bGUIAhglgDIyAcYiICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R)-2-[1-(4-methyl-3-oxo-quinoxalin-2-yl)ethylamino]-2-phenyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2R)-2-[1-(4-methyl-3-oxo-2-quinoxalinyl)ethylamino]-2-phenylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>)-2-[1-(4-methyl-3-oxoquinoxalin-2-yl)ethylamino]-2-phenylacetamide

> <PUBCHEM_IUPAC_NAME>
(2R)-2-[1-(4-methyl-3-oxoquinoxalin-2-yl)ethylamino]-2-phenylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R)-2-[1-(4-methyl-3-oxidanylidene-quinoxalin-2-yl)ethylamino]-2-phenyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R)-2-[1-(3-keto-4-methyl-quinoxalin-2-yl)ethylamino]-2-phenyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H20N4O2/c1-12(21-17(18(20)24)13-8-4-3-5-9-13)16-19(25)23(2)15-11-7-6-10-14(15)22-16/h3-12,17,21H,1-2H3,(H2,20,24)/t12?,17-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BSDOQQIFGMHCTL-RGUGMKFQSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
336.15862589

> <PUBCHEM_MOLECULAR_FORMULA>
C19H20N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
336.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=NC2=CC=CC=C2N(C1=O)C)NC(C3=CC=CC=C3)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1=NC2=CC=CC=C2N(C1=O)C)N[C@H](C3=CC=CC=C3)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
87.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
336.15862589

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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  18  8
12  19  8
13  14  8
13  17  8
14  20  8
17  21  8
18  23  8
19  24  8
20  22  8
21  22  8
23  25  8
24  25  8
8  3  6
4  11  8
4  13  8
5  14  8
5  9  8
7  10  3
9  11  8

$$$$