53383154
  -OEChem-04242422302D

 57 60  0     1  0  0  0  0  0999 V2000
    3.7320    0.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    4.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3988    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041    1.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041    3.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    1.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    2.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1097    2.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    3.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788    4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.7088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.1838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.0186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.7089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.5186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.2089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -4.6838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -3.9936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113    0.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113    4.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623    1.5659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623    3.2317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.0643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2386    2.3856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3954    3.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5310    5.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  2  0  0  0  0
  3 23  1  0  0  0  0
  3 32  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 41  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  2  0  0  0  0
  7 33  3  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 34  1  0  0  0  0
  9 20  2  0  0  0  0
  9 21  1  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 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  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 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 24  1  0  0  0  0
 19 44  1  0  0  0  0
 20 25  1  0  0  0  0
 20 45  1  0  0  0  0
 21 26  2  0  0  0  0
 21 46  1  0  0  0  0
 22 27  1  0  0  0  0
 22 47  1  0  0  0  0
 23 30  2  0  0  0  0
 24 27  2  0  0  0  0
 24 48  1  0  0  0  0
 25 29  2  0  0  0  0
 25 49  1  0  0  0  0
 26 29  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 33  1  0  0  0  0
 30 31  1  0  0  0  0
 30 55  1  0  0  0  0
 31 32  2  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383154

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
780

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAACB0AAAHgAQAAAADCzhmAYyxIPABEC4B61y1ASiCAAlIgAIiIGufNgM5r7MtbuWOSjm9hHI6Y+YyMCOQAAAAAAAACCAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-cyanophenyl)-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-N-pentyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-cyanophenyl)-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-N-pentylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-cyanophenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-<I>N</I>-pentylacetamide

> <PUBCHEM_IUPAC_NAME>
2-(4-cyanophenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-cyanophenyl)-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-N-pentyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-amyl-2-(4-cyanophenyl)-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H24N4O3/c1-2-3-6-15-28-25(31)24(19-13-11-18(17-27)12-14-19)30-21-9-5-4-8-20(21)29-23(26(30)32)22-10-7-16-33-22/h4-5,7-14,16,24H,2-3,6,15H2,1H3,(H,28,31)

> <PUBCHEM_IUPAC_INCHIKEY>
HCPORYVOXJDVSH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
440.18484064

> <PUBCHEM_MOLECULAR_FORMULA>
C26H24N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
440.5

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

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

> <PUBCHEM_CACTVS_TPSA>
98.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
440.18484064

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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
3  23  8
3  32  8
30  31  8
31  32  8
4  10  8
4  14  8
6  16  8
6  17  8
8  11  3
9  20  8
9  21  8

$$$$