65182
  -OEChem-04252405012D

 42 45  0     0  0  0  0  0  0999 V2000
    3.7860    0.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    3.1313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5180   -0.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5340    2.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5180    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942    3.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    3.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359    1.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6681   -2.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7860   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4361    1.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700   -3.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4280    0.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8760   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3904    4.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6583    4.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200   -3.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7617   -4.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6367   -4.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7013   -4.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6085    3.0529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0044    3.7447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0512    3.7333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4524    3.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0955    1.9074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9742    1.9184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9613    0.2527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427   -1.1286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0104    4.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3880    5.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7704    4.6323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2783    4.6304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6559    5.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0383    4.6256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1508   -2.6798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2235   -4.4001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1772   -4.3887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7037   -5.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2 18  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5 11  2  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 16  1  0  0  0  0
  9 19  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 20  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  1  0  0  0  0
 12 21  2  0  0  0  0
 13 17  2  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 18  1  0  0  0  0
 15 22  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  1  0  0  0  0
 21 39  1  0  0  0  0
 22 24  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65182

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
564

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBQAAAHgAAAAAADAzBmAQyxoMABACoA6RyRASCCAAlIgAIiAEvbNgOJrLEtZuHOSjmwBnI6YeY3KOOgACAAgAQEAAAAQAEACAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
9-(diethylamino)benzo[a]phenoxazin-5-one

> <PUBCHEM_IUPAC_CAS_NAME>
9-(diethylamino)-5-benzo[a]phenoxazinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
9-(diethylamino)benzo[a]phenoxazin-5-one

> <PUBCHEM_IUPAC_NAME>
9-(diethylamino)benzo[a]phenoxazin-5-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
9-(diethylamino)benzo[a]phenoxazin-5-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
9-(diethylamino)benzo[a]phenoxazin-5-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H18N2O2/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12-17(23)14-7-5-6-8-15(14)20(19)21-16/h5-12H,3-4H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
VOFUROIFQGPCGE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
318.136827821

> <PUBCHEM_MOLECULAR_FORMULA>
C20H18N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
318.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3O2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3O2

> <PUBCHEM_CACTVS_TPSA>
41.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
318.136827821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  13  8
1  6  8
12  15  8
12  21  8
13  17  8
14  16  8
15  18  8
15  22  8
17  18  8
21  23  8
22  24  8
23  24  8
4  7  8
4  8  8
5  11  8
5  14  8
6  11  8
6  8  8
7  12  8
8  16  8

$$$$