3033821
  -OEChem-04232414152D

 42 46  0     0  0  0  0  0  0999 V2000
    4.7552   -2.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8810   -1.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7470    0.4963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8065   -1.0663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0149    1.4963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3444   -1.5690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4851    0.9963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9947   -2.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5864   -3.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8047   -2.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0149    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6130   -0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7580   -0.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7470    1.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0687    0.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8810    1.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8810   -0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0687    1.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4790    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6130   -1.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6570    2.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8649    3.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6650    3.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7629    3.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759   -3.0437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301   -2.1592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4423   -3.0264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549   -4.0108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0998   -3.9131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -0.3137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8761    2.3904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890   -0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0160    0.8063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1690    1.0332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9930   -1.0037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6130   -1.6237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2330   -1.0037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1903    1.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3244    3.3416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2032    3.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7606    4.1856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 18  2  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  2  0  0  0  0
  4 14  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  1  0  0  0  0
  6 14  2  0  0  0  0
  7 16  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  2  0  0  0  0
 17 23  2  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  2  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3033821

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
540

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAGAAAAWLAAAA8QAAAAAAAAFix8AAAHgAEAAAADSjBlwQ30JccEACpASdzdgCCgC03EqAp2CG4dNiIaHrA2bGUIYhshwLIyWcUAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-isopropyl-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-propan-2-yl-4-imidazo[1,5-a]quinoxalinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_NAME>
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-propan-2-yl-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-isopropyl-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZGEGOFCLSWVVKG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
335.13822480

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
335.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)N1C2=CC=CC=C2N3C=NC(=C3C1=O)C4=NOC(=N4)C5CC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)N1C2=CC=CC=C2N3C=NC(=C3C1=O)C4=NOC(=N4)C5CC5

> <PUBCHEM_CACTVS_TPSA>
77

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
335.13822480

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
1  11  8
1  6  8
12  16  8
12  18  8
15  17  8
15  22  8
17  23  8
22  24  8
23  25  8
24  25  8
3  15  8
3  18  8
4  11  8
4  14  8
5  12  8
5  17  8
5  19  8
6  14  8
7  16  8
7  19  8

$$$$