53383345
  -OEChem-04252410152D

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    6.3981    0.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5026    3.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.1682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1100   -2.7051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4405    1.3186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
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  6  8  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
53383345

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
719

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAACB0AAAHwAQAAAADKzhmA4yxIPABECoA61y1ASCCAAlIgAIiAGufNgMZr7MtbuWOSjm9hHI6YeYyICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H22FN3O3/c1-24(2,3)27-22(29)21(15-9-4-5-10-16(15)25)28-18-12-7-6-11-17(18)26-20(23(28)30)19-13-8-14-31-19/h4-14,21H,1-3H3,(H,27,29)

> <PUBCHEM_IUPAC_INCHIKEY>
FJRLTZKWQAXEAI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
419.16451973

> <PUBCHEM_MOLECULAR_FORMULA>
C24H22FN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
419.4

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

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

> <PUBCHEM_CACTVS_TPSA>
74.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
419.16451973

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
11  19  8
11  20  8
12  17  8
12  21  8
16  18  8
17  22  8
19  25  8
20  26  8
21  24  8
22  27  8
23  29  8
24  27  8
25  28  8
26  28  8
29  30  8
30  31  8
4  23  8
4  31  8
5  12  8
5  16  8
7  17  8
7  18  8
9  10  3

$$$$