10198481
  -OEChem-04252401112D

 33 36  0     0  0  0  0  0  0999 V2000
    2.8427   -2.8816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0749   -0.8254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8839    2.2763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3839    0.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3839    0.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8839   -1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6929   -0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7775    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9902    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1169   -1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9996    1.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7681    1.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7910   -2.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5492   -1.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6946   -2.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -2.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2203    1.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882    0.4141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3796    0.4141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5475    1.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9746   -0.6308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980   -1.2712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8630    2.4567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3796    1.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3881    1.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9047    2.4567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   -2.0954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7268   -2.8259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8839    2.8963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0908   -1.0546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7252   -3.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0921   -2.6647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 12  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  2  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10198481

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
296

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAABYAAAFix8AAAHgAQAAAADAzhngYwxvPMFACgAyRiRASCiCAhYCAI2KA/TJgOJuLE8ZuHOCjk0BHY6AeQ0PMOgAABAAACEAAAAAIAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
14-oxa-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9(17),10,12-tetraene

> <PUBCHEM_IUPAC_CAS_NAME>
14-oxa-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9(17),10,12-tetraene

> <PUBCHEM_IUPAC_NAME_MARKUP>
14-oxa-1,5-diazatetracyclo[7.7.1.0<SUP>2,8</SUP>.0<SUP>13,17</SUP>]heptadeca-2(8),9(17),10,12-tetraene

> <PUBCHEM_IUPAC_NAME>
14-oxa-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9(17),10,12-tetraene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
14-oxa-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9(17),10,12-tetraene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
14-oxa-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9(17),10,12-tetraene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16N2O/c1-2-11-10-4-6-15-7-5-12(10)16-8-9-17-13(3-1)14(11)16/h1-3,15H,4-9H2

> <PUBCHEM_IUPAC_INCHIKEY>
KMVAXNRPZRSLSY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
228.126263138

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
228.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CNCCC2=C1C3=C4N2CCOC4=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CNCCC2=C1C3=C4N2CCOC4=CC=C3

> <PUBCHEM_CACTVS_TPSA>
26.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
228.126263138

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
13  16  8
15  17  8
16  17  8
2  4  8
2  6  8
4  5  8
5  7  8
6  13  8
6  7  8
7  15  8

$$$$