57022801
  -OEChem-04252402002D

 36 39  0     1  0  0  0  0  0999 V2000
    4.2015    1.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1018   -1.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6574    1.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5592   -1.6328    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.9381    0.6375    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.4583   -1.1941    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6292   -0.6349    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6793   -0.3284    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9049    0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9510   -1.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3698    0.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7281   -0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0033   -2.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0127    1.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543   -0.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0428    1.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4160    0.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6691    1.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0877   -1.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7746   -1.7273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0187   -0.5271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1816    0.0351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8998    0.9464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2906    0.4102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -2.1152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -2.9759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5140   -2.8086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4833   -2.4593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5557   -2.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7838    1.8356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0280    0.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    2.4619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9836   -2.3892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989   -1.8821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -1.1668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3 19  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  8 11  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57022801

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
454

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAFgAAAAAAAAA8WIAABYAWAACxAAAAHgAEAAAADDzhmAYyxoMQBACIAixSwACCCAAlIgAgiAEObMgOZjLE9ZuUMShmwBnY6Yf+2POOQAABQgAKAACAAAKEABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-methoxy-11-methyl-8-methylene-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carbaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
6-methoxy-11-methyl-8-methylene-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carboxaldehyde

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-methoxy-11-methyl-8-methylidene-14-oxa-1,11-diazatetracyclo[7.4.1.0<SUP>2,7</SUP>.0<SUP>10,12</SUP>]tetradeca-2(7),3,5-triene-4-carbaldehyde

> <PUBCHEM_IUPAC_NAME>
6-methoxy-11-methyl-8-methylidene-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carbaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methoxy-11-methyl-8-methylidene-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carbaldehyde

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-methoxy-11-methyl-8-methylene-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carbaldehyde

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H16N2O3/c1-8-13-10(4-9(7-18)5-12(13)19-3)17-6-11-14(16(11)2)15(8)20-17/h4-5,7,11,14-15H,1,6H2,2-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
URIJJWVCQUCNIE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
272.11609238

> <PUBCHEM_MOLECULAR_FORMULA>
C15H16N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
272.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2C1C3C(=C)C4=C(C=C(C=C4OC)C=O)N(C2)O3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2C1C3C(=C)C4=C(C=C(C=C4OC)C=O)N(C2)O3

> <PUBCHEM_CACTVS_TPSA>
41.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.11609238

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
12  13  8
12  15  8
13  16  8
15  17  8
16  18  8
17  18  8
6  4  3
7  9  3
8  11  3

$$$$