53383152
  -OEChem-05132420272D

 56 59  0     1  0  0  0  0  0999 V2000
    7.3660   -2.5522    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6340   -0.5522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0981    0.4478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2026    3.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660    0.4478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0001   -1.9182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660    2.4478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660   -0.5522    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2320   -1.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    0.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -1.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2320    0.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    1.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2320    1.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6060    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2320   -2.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0981   -0.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6060    2.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0981    2.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    0.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0981   -2.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641   -1.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    1.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641   -2.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0116    2.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6807    2.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1807    3.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8291   -0.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3924   -3.3948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826   -2.9963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1077   -1.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174   -1.7062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -2.1737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -2.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100   -2.4551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924   -4.2609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826   -3.8623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6132   -0.2068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0981    0.0678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6132    3.1025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1642    0.6150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0981   -3.1722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5010   -0.7422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1642    2.2807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.6503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5010   -2.3622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1405    1.4346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2973    2.7194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4329    4.2167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  2  0  0  0  0
  4 23  1  0  0  0  0
  4 32  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 40  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 33  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  2  0  0  0  0
 10 16  1  0  0  0  0
 10 19  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 28  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 24  1  0  0  0  0
 19 43  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 21 44  1  0  0  0  0
 22 27  1  0  0  0  0
 22 45  1  0  0  0  0
 23 30  2  0  0  0  0
 24 27  2  0  0  0  0
 24 46  1  0  0  0  0
 25 29  1  0  0  0  0
 25 47  1  0  0  0  0
 26 29  2  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 31  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  2  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383152

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
700

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAACB0AAAHwAQAAAADCzhmA4yxIPABECoA61y1ASCCAAlIgAIiIGufNgMZr7MtbuWOSjm9hHI6YeYyICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H24FN3O3/c1-2-3-8-15-27-24(30)23(17-10-4-5-11-18(17)26)29-20-13-7-6-12-19(20)28-22(25(29)31)21-14-9-16-32-21/h4-7,9-14,16,23H,2-3,8,15H2,1H3,(H,27,30)

> <PUBCHEM_IUPAC_INCHIKEY>
LJYHCNLGGYSLIW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
433.18016980

> <PUBCHEM_MOLECULAR_FORMULA>
C25H24FN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
433.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCNC(=O)C(C1=CC=CC=C1F)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCNC(=O)C(C1=CC=CC=C1F)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
74.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
433.18016980

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  19  8
14  17  8
16  22  8
19  24  8
20  25  8
21  26  8
22  27  8
23  30  8
24  27  8
25  29  8
26  29  8
30  31  8
31  32  8
4  23  8
4  32  8
5  10  8
5  14  8
7  16  8
7  17  8
8  11  3
9  20  8
9  21  8

$$$$