56642897
  -OEChem-05092417302D

 46 48  0     1  0  0  0  0  0999 V2000
   10.1137   -3.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1137   -1.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6137   -0.4269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6137   -0.4269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2369    2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7147    0.9479    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9735    1.9139    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3420    0.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3725    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1137    0.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3415    3.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3234    3.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4559   -0.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1137   -1.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1137   -1.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6137   -2.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6137   -0.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6137   -2.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6137   -0.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1137   -1.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6137   -3.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595    1.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7636    0.1326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765   -0.2180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057    1.8844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4142    1.0924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    1.2273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5674    1.9936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9581    3.8262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063    4.5076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7248    3.9558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5756    3.8696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7570    3.5554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0712    2.7368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570    0.1425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2954   -0.6169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0548   -0.1785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9237    0.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8037   -1.8299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3037   -2.6959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3037    0.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9237    0.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0767   -3.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3037   -4.4279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1506   -4.2010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 22  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4 15  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
 18 42  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56642897

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
625

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAYMAAAAwQAAAAAAAAAAAAAAAHgAYAAAADwzBgAYCAABiBACoA6B2QAIQCAAgIAAICIBwAEgIAAIAAQQAAAAASAAIgYMAgMAPgAAAAAAAAACAAAAAAAAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4E)-2-methoxy-4-[[(2E)-2-(1,7,7-trimethylnorbornan-2-ylidene)hydrazino]methylene]cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
(4E)-2-methoxy-4-[[(2E)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]methylidene]-1-cyclohexa-2,5-dienone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>E</I>)-2-methoxy-4-[[(2<I>E</I>)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_NAME>
(4E)-2-methoxy-4-[[(2E)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4E)-2-methoxy-4-[[(2E)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4E)-2-methoxy-4-[[(N'E)-N'-(1,7,7-trimethylnorbornan-2-ylidene)hydrazino]methylene]cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H24N2O2/c1-17(2)13-7-8-18(17,3)16(10-13)20-19-11-12-5-6-14(21)15(9-12)22-4/h5-6,9,11,13,19H,7-8,10H2,1-4H3/b12-11+,20-16+

> <PUBCHEM_IUPAC_INCHIKEY>
NVUXMKYURVNUQO-PBBJMKGWSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
300.183778013

> <PUBCHEM_MOLECULAR_FORMULA>
C18H24N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
300.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CCC1(C(=NNC=C3C=CC(=O)C(=C3)OC)C2)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CCC1(/C(=N/N/C=C/3\C=CC(=O)C(=C3)OC)/C2)C)C

> <PUBCHEM_CACTVS_TPSA>
50.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
300.183778013

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <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>
6  14  3
7  9  3

$$$$