53383148
  -OEChem-05122406302D

 60 63  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
    8.9282   -1.6012    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
    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   -1.6012    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
    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
    7.1962    0.3988    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
    3.7041    1.3641    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
    8.0622   -0.1012    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
    2.7981    1.8780    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
    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
    8.1097    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   -2.6012    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
    5.1350   -1.4112    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
    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
    7.1962    1.0188    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
    3.7113    0.7442    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
    8.5991    0.2088    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
    2.2623    1.5659    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
    8.3082   -2.6012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482   -2.6012    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 27  1  0  0  0  0
  4 33  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 12  1  0  0  0  0
  6 39  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 34  1  0  0  0  0
  9 19  2  0  0  0  0
  9 20  1  0  0  0  0
 10 16  1  0  0  0  0
 10 21  2  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 29  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  2  0  0  0  0
 20 45  1  0  0  0  0
 21 26  1  0  0  0  0
 21 46  1  0  0  0  0
 22 28  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 27  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  2  0  0  0  0
 26 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  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
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383148

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
704

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAACB0AAAHgAQAAAADCzhmAYyxoPABECoA61y1ASCCAAlIgAIiIGufNgMZr7MtbuWOSjm9hHI6YeY2IOOIAAAAAAAACBAAAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H27N3O4/c1-3-4-7-16-27-25(30)24(18-12-14-19(32-2)15-13-18)29-21-10-6-5-9-20(21)28-23(26(29)31)22-11-8-17-33-22/h5-6,8-15,17,24H,3-4,7,16H2,1-2H3,(H,27,30)

> <PUBCHEM_IUPAC_INCHIKEY>
BPYAUTJOWXOIBG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
445.20015635

> <PUBCHEM_MOLECULAR_FORMULA>
C26H27N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
445.5

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

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

> <PUBCHEM_CACTVS_TPSA>
84.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
445.20015635

> <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  21  8
14  17  8
16  22  8
19  24  8
20  25  8
21  26  8
22  28  8
23  30  8
24  27  8
25  27  8
26  28  8
3  23  8
3  32  8
30  31  8
31  32  8
5  10  8
5  14  8
7  16  8
7  17  8
8  11  3
9  19  8
9  20  8

$$$$