3245662
  -OEChem-04262405512D

 46 49  0     0  0  0  0  0  0999 V2000
    4.8890    1.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2462   -1.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3532    3.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998   -1.3275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3054    0.6340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -2.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107   -2.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -3.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464   -3.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678   -4.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8352    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5783   -1.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7012   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   -0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8352    1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7012    1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4773    1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6852    2.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4853    2.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5832    3.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3571    4.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8751   -1.8166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2901   -1.8646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968   -2.3969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5039   -3.3143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396   -2.5344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4531   -3.1427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6174   -3.9227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6669   -4.5925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2602   -4.0602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1415   -4.5067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8991   -4.7543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858   -0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3027   -0.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0998   -0.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7793   -0.4486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1778    0.2416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0106    1.3246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1447    2.9792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5808    3.8232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9771    4.1767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3595    4.7991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7371    4.1814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  2 13  2  0  0  0  0
  3 22  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 36  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  1  0  0  0  0
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 12 17  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 23  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3245662

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
452

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFjBwAAAHgAUAAAADCzBngYyhpLQBACpA6VyUgCCCAAmIAAomKGuTNoMZjqEtZuUMahm1hmI6ce/7PzOoAABAAAQAADAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclohexyl-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclohexyl-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclohexyl-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-cyclohexyl-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclohexyl-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclohexyl-7-methoxy-4,5-dihydrobenz[g]indoxazene-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22N2O3/c1-23-14-8-10-15-12(11-14)7-9-16-17(21-24-18(15)16)19(22)20-13-5-3-2-4-6-13/h8,10-11,13H,2-7,9H2,1H3,(H,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
RGMBHEHSMSYQBO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
326.16304257

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
326.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)NC4CCCCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)NC4CCCCC4

> <PUBCHEM_CACTVS_TPSA>
64.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
326.16304257

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  17  8
1  5  8
12  15  8
12  17  8
18  19  8
18  20  8
19  21  8
20  22  8
21  23  8
22  23  8
5  15  8

$$$$