53383162
  -OEChem-05042418422D

 54 58  0     1  0  0  0  0  0999 V2000
    6.3660   -2.1191    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6339   -0.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0980    0.8809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2026    3.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660    0.8809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0001   -1.4852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660    2.8809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -0.1191    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5000    1.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320    1.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    2.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320    2.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6060    0.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320   -1.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0980   -0.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6060    2.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0980    2.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    1.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    2.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0980   -2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9641   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9641   -1.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0116    2.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0001   -3.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6807    3.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1807    4.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5001   -4.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -4.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8291    0.1909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132    0.2262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -2.0221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0980    0.5009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132    3.5355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1076   -0.8746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174   -1.2732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1642    1.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1642    2.7137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0980   -2.7391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5010   -0.3091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5010   -1.9291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1405    1.8677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201   -3.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.8143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2973    3.1525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4329    4.6497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8101   -4.6202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.2173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -4.6202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4 20  1  0  0  0  0
  4 31  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  6 37  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 35  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 12 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 36  1  0  0  0  0
 16 23  2  0  0  0  0
 17 24  1  0  0  0  0
 17 38  1  0  0  0  0
 18 22  1  0  0  0  0
 18 39  1  0  0  0  0
 19 25  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 27  2  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 26  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 46  1  0  0  0  0
 27 30  1  0  0  0  0
 27 47  1  0  0  0  0
 28 32  1  0  0  0  0
 28 48  1  0  0  0  0
 29 33  2  0  0  0  0
 29 49  1  0  0  0  0
 30 31  2  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 34  2  0  0  0  0
 32 52  1  0  0  0  0
 33 34  1  0  0  0  0
 33 53  1  0  0  0  0
 34 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383162

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
768

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAACB1AAAHwAQAAAADCzhmA4wxIPABECoA61y1ASCCAAlIgAIiIGufNgMZr7MtbuWOSjm9hHI6YeYyICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-benzyl-2-(2-fluorophenyl)-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-fluorophenyl)-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-N-(phenylmethyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-benzyl-2-(2-fluorophenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-benzyl-2-(2-fluorophenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-fluorophenyl)-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-N-(phenylmethyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-benzyl-2-(2-fluorophenyl)-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H20FN3O3/c28-20-12-5-4-11-19(20)25(26(32)29-17-18-9-2-1-3-10-18)31-22-14-7-6-13-21(22)30-24(27(31)33)23-15-8-16-34-23/h1-16,25H,17H2,(H,29,32)

> <PUBCHEM_IUPAC_INCHIKEY>
FMNOAOUXWWLSGH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
453.14886967

> <PUBCHEM_MOLECULAR_FORMULA>
C27H20FN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
453.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=C2F)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=C2F)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
74.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
453.14886967

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
10  16  8
10  17  8
12  14  8
13  18  8
15  21  8
16  23  8
17  24  8
18  22  8
20  27  8
21  22  8
23  26  8
24  26  8
25  28  8
25  29  8
27  30  8
28  32  8
29  33  8
30  31  8
32  34  8
33  34  8
4  20  8
4  31  8
5  12  8
5  9  8
7  13  8
7  14  8
8  11  3
9  13  8
9  15  8

$$$$