647104
  -OEChem-05042416332D

 42 44  0     1  0  0  0  0  0999 V2000
    5.5321   -0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.4400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1860   -1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7407   -2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3422   -1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1860   -3.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3422   -3.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7407   -2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8656   -4.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6626   -4.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6101    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    3.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 15  2  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  3 33  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  4 37  1  0  0  0  0
  5 15  1  0  0  0  0
  5 17  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
647104

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
393

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxAAAAHgAQAAAACCjBkAQwwILAAACIACVSUACCAAAhAgAIiIGIdIgIYDrA0bGUIAhglgDIyAcVAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclohexyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclohexyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclohexyl-2-(3-oxo-2,4-dihydro-1<I>H</I>-quinoxalin-2-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-cyclohexyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclohexyl-2-(3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclohexyl-2-(3-keto-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H21N3O2/c20-15(17-11-6-2-1-3-7-11)10-14-16(21)19-13-9-5-4-8-12(13)18-14/h4-5,8-9,11,14,18H,1-3,6-7,10H2,(H,17,20)(H,19,21)

> <PUBCHEM_IUPAC_INCHIKEY>
YINQSHIVHBYKHZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
287.16337692

> <PUBCHEM_MOLECULAR_FORMULA>
C16H21N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
287.36

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2

> <PUBCHEM_CACTVS_TPSA>
70.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
287.16337692

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
14

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  12  3
16  17  8
16  18  8
17  19  8
18  20  8
19  21  8
20  21  8

$$$$