53383333
  -OEChem-04242410322D

 54 58  0     1  0  0  0  0  0999 V2000
    3.7320   -0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    3.6433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3512    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041    0.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041    2.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    1.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    2.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1097    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4906   -0.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3552   -2.1158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3051   -2.1158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9127   -1.0633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4378   -0.2406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.9338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.2436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.3763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.3763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.7686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.4589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -3.2436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -3.9338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113   -0.0058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113    3.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623    0.8159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623    2.4817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2386    1.6356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3954    2.9204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5310    4.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 19  2  0  0  0  0
  3 25  1  0  0  0  0
  3 29  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 37  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 16  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 48  1  0  0  0  0
 23 26  1  0  0  0  0
 23 49  1  0  0  0  0
 24 26  2  0  0  0  0
 24 50  1  0  0  0  0
 25 27  2  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  2  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383333

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
668

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAGAAAASAAAAAwYIAAAAAAAACBwAAAHgAQAAAADSzhkAYwxIPABECoAa1y1ASCCAAlIgAIiIGufNgMZr7MtbuWOSjm9hHI6YeYSAAIAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H25N3O3/c27-22(24-16-7-2-1-3-8-16)21(15-12-13-15)26-18-10-5-4-9-17(18)25-20(23(26)28)19-11-6-14-29-19/h4-6,9-11,14-16,21H,1-3,7-8,12-13H2,(H,24,27)

> <PUBCHEM_IUPAC_INCHIKEY>
CKIQQLGLRVDQDE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
391.18959167

> <PUBCHEM_MOLECULAR_FORMULA>
C23H25N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
391.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NC(=O)C(C2CC2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NC(=O)C(C2CC2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
74.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
391.18959167

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  11  3
18  20  8
18  22  8
19  21  8
20  23  8
22  24  8
23  26  8
24  26  8
25  27  8
27  28  8
28  29  8
3  25  8
3  29  8
4  18  8
4  19  8
6  20  8
6  21  8

$$$$