776361
  -OEChem-04252400522D

 32 35  0     0  0  0  0  0  0999 V2000
    4.3009   -2.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176    1.2343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073   -2.7442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0574    1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    2.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.6332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4581    1.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -2.4549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    0.8543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4482    1.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8387    1.1642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.6332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    0.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6890    2.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0762    3.3642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    2.7514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2 12  2  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  2  0  0  0  0
 11 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 18  1  0  0  0  0
 15 24  1  0  0  0  0
 16 19  1  0  0  0  0
 16 25  1  0  0  0  0
 17 20  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
776361

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
400

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFjB9AAAHgAUAAAADAzBngQyxPLQAACpA6RyQgCCAAAlIgAomKE8bNoIJrrAlZOEMYhm0BnIyce/yPCOgACAQAASAACAAQaAADQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10-(ethylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_CAS_NAME>
10-(ethylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
10-(ethylamino)-15-oxa-14-azatetracyclo[7.6.1.0<SUP>2,7</SUP>.0<SUP>13,16</SUP>]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_NAME>
10-(ethylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-(ethylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-(ethylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12N2O2/c1-2-17-11-7-8-12-14-13(11)15(19)9-5-3-4-6-10(9)16(14)20-18-12/h3-8,17H,2H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
HUALQAGSQPUHSR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
264.089877630

> <PUBCHEM_MOLECULAR_FORMULA>
C16H12N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
264.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCNC1=C2C3=C(C4=CC=CC=C4C2=O)ON=C3C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCNC1=C2C3=C(C4=CC=CC=C4C2=O)ON=C3C=C1

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.089877630

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  4  8
1  7  8
10  16  8
11  14  8
13  14  8
15  18  8
16  19  8
18  19  8
4  11  8
5  11  8
5  6  8
5  7  8
6  9  8
8  10  8
8  15  8
9  13  8

$$$$