9883029
  -OEChem-04242421382D

 40 43  0     1  0  0  0  0  0999 V2000
    4.3440    0.2707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8102    2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4692   -1.9099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6820    0.8200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5519   -0.7075    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0519   -1.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5737   -0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3827   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4179   -0.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6645   -0.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4963   -2.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2839   -0.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4179    0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1499   -0.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1499    0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2839    1.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0439   -0.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0439    1.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500    0.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8140    1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5461    1.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -2.0343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5534   -1.2091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0727   -2.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8843   -2.6811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5346    0.0928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2431   -2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2839   -1.3275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7543    0.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810    1.1025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2839    1.9125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0367   -1.3621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0367    1.9471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4857   -0.5404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6844    0.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8581    0.7876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0818    1.6354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2340    1.8591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 31  1  0  0  0  0
  2 22  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  2  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 11  2  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 17  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 33  1  0  0  0  0
 18 21  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 36  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9883029

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
471

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAWAADB1AAAHgAQCAAADEzBngQ/kNfMEgCoAzV3dASCgC01EqAJ2IE4fMiKbjLAnRGUcQhuwgPY2aeYyPCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-(7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl)-N-methyl-naphthalene-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
6-(7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl)-N-methyl-2-naphthalenecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-(7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl)-<I>N</I>-methylnaphthalene-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
6-(7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl)-N-methylnaphthalene-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-methyl-6-(7-oxidanyl-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl)naphthalene-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-(7-hydroxy-5,6-dihydropyrrol[1,2-c]imidazol-7-yl)-N-methyl-2-naphthamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)

> <PUBCHEM_IUPAC_INCHIKEY>
OZPFIJIOIVJZMN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
307.132076794

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
307.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O

> <PUBCHEM_CACTVS_TPSA>
67.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
307.132076794

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  13  8
10  14  8
13  15  8
14  17  8
15  16  8
15  18  8
16  17  8
16  19  8
18  21  8
19  20  8
20  21  8
3  12  8
3  8  8
4  11  8
4  12  8
6  10  3
8  11  8

$$$$