65661
  -OEChem-05072401552D

 36 38  0     0  0  0  0  0  0999 V2000
    5.1038   -1.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1700    3.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6038    2.1046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841   -1.3446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2028    0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9803    1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2273    1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0048    0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1038   -0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038    2.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4503   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9898    1.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2178    1.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7573   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4526   -0.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0377    3.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208    0.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9868    0.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7550   -0.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9589   -2.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1927   -3.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8589    2.2511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3488    2.2511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6124   -0.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9997   -0.4965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5963    2.7365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3067    3.5641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    3.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6291    1.1275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5786    1.1275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2786   -1.5205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2079   -0.4965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899   -3.1505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3376   -3.6084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7955   -2.8606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3 21  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 18  2  0  0  0  0
 13 23  1  0  0  0  0
 14 19  1  0  0  0  0
 14 24  1  0  0  0  0
 15 20  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65661

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
490

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAABYAAAAABQAAAHgAQAAAADAyBmAQywIPAAACIAqVSUACCAAAlAgAIiAEIZMgIIDrAlZGEIYhglgDIyccdiMCOgAAAQAASAAAAAACAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(5-methyl-6,11-dioxo-benzo[c][1]benzazepin-10-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(5-methyl-6,11-dioxo-10-benzo[c][1]benzazepinyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(5-methyl-6,11-dioxobenzo[c][1]benzazepin-10-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(5-methyl-6,11-dioxobenzo[c][1]benzazepin-10-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[5-methyl-6,11-bis(oxidanylidene)benzo[c][1]benzazepin-10-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(6,11-diketo-5-methyl-benzo[c][1]benzazepin-10-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14N2O3/c1-10(20)18-13-8-5-7-12-15(13)16(21)11-6-3-4-9-14(11)19(2)17(12)22/h3-9H,1-2H3,(H,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
KLSKLNWJEDXFSD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
294.10044231

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
294.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3N(C2=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3N(C2=O)C

> <PUBCHEM_CACTVS_TPSA>
66.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
294.10044231

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
12  16  8
13  18  8
14  19  8
15  20  8
16  18  8
19  20  8
4  11  8
4  8  8
6  10  8
6  12  8
6  7  8
7  11  8
7  13  8
8  14  8
8  9  8
9  10  8
9  15  8

$$$$