16800367
  -OEChem-05251306302D

 48 50  0     0  0  0  0  0  0999 V2000
    3.7320    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -3.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -1.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    3.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    3.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    2.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -4.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -0.7854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -3.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -1.6071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 20  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 33  1  0  0  0  0
  5 16  1  0  0  0  0
  5 20  1  0  0  0  0
  5 42  1  0  0  0  0
  6 13  2  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 15  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 14  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  2  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 34  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  2  0  0  0  0
 17 24  2  0  0  0  0
 18 22  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 25  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16800367

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
544

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQAAAADAjBmAQywIPAAACoAyVyVACCAAAhAgAIiAGodJgIYLLAlbGUIAhglADIyAcciICOAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(diethylamino)-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(diethylamino)-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-(diethylamino)-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(diethylamino)-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(diethylamino)-N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H22N4O2/c1-3-24(4-2)13-18(25)21-15-10-6-5-9-14(15)19-20(26)23-17-12-8-7-11-16(17)22-19/h5-12H,3-4,13H2,1-2H3,(H,21,25)(H,23,26)

> <PUBCHEM_IUPAC_INCHIKEY>
ZVCKRNZWLYWBAB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
350.174276

> <PUBCHEM_MOLECULAR_FORMULA>
C20H22N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
350.41428

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O

> <PUBCHEM_CACTVS_TPSA>
73.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.174276

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
18

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  18  8
12  19  8
13  20  8
16  17  8
16  23  8
17  24  8
18  22  8
19  21  8
21  22  8
23  25  8
24  26  8
25  26  8
5  16  8
5  20  8
6  13  8
6  17  8

$$$$