5359812
  -OEChem-04262404392D

 56 59  0     0  0  0  0  0  0999 V2000
    4.5981    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    6.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -0.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    2.7146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.2271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    1.8929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    6.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    5.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    6.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    7.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -5.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 21  1  0  0  0  0
  2 32  1  0  0  0  0
  3 17  2  0  0  0  0
  4 34  2  0  0  0  0
  5 17  1  0  0  0  0
  5 20  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 22  1  0  0  0  0
  7 41  1  0  0  0  0
  8 34  1  0  0  0  0
  8 55  1  0  0  0  0
  8 56  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 13  1  0  0  0  0
 10 16  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 35  1  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  1  0  0  0  0
 16 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 22 27  2  0  0  0  0
 22 28  1  0  0  0  0
 23 25  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  2  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 30  1  0  0  0  0
 27 46  1  0  0  0  0
 28 31  2  0  0  0  0
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 34  1  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
 32 33  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5359812

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
831

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAYAAAADAyhmAIyxoLiBACoA6VyUACSDAAlIgAYiAEnbNgOJrrMtZuHOSjk3BHY6YeYycCeiAAAAAAQEAAQAAAAACAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4Z)-4-[(4-carbamoylphenyl)hydrazono]-N-(2-ethoxyphenyl)-3-oxo-naphthalene-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(4Z)-4-[(4-carbamoylphenyl)hydrazinylidene]-N-(2-ethoxyphenyl)-3-oxo-2-naphthalenecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>Z</I>)-4-[(4-carbamoylphenyl)hydrazinylidene]-<I>N</I>-(2-ethoxyphenyl)-3-oxonaphthalene-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
(4Z)-4-[(4-carbamoylphenyl)hydrazinylidene]-N-(2-ethoxyphenyl)-3-oxonaphthalene-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4Z)-4-[(4-aminocarbonylphenyl)hydrazinylidene]-N-(2-ethoxyphenyl)-3-oxidanylidene-naphthalene-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4Z)-4-[(4-carbamoylphenyl)hydrazono]-3-keto-N-o-phenetyl-2-naphthamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H22N4O4/c1-2-34-22-10-6-5-9-21(22)28-26(33)20-15-17-7-3-4-8-19(17)23(24(20)31)30-29-18-13-11-16(12-14-18)25(27)32/h3-15,29H,2H2,1H3,(H2,27,32)(H,28,33)/b30-23-

> <PUBCHEM_IUPAC_INCHIKEY>
PYUYQYBDJFMFTH-WMMMYUQOSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
454.16410520

> <PUBCHEM_MOLECULAR_FORMULA>
C26H22N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
454.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=NNC4=CC=C(C=C4)C(=O)N)C2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3/C(=N/NC4=CC=C(C=C4)C(=O)N)/C2=O

> <PUBCHEM_CACTVS_TPSA>
123

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
454.16410520

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
10  16  8
15  18  8
16  19  8
18  19  8
20  21  8
20  23  8
21  24  8
22  27  8
22  28  8
23  25  8
24  26  8
25  26  8
27  30  8
28  31  8
29  30  8
29  31  8
9  10  8
9  15  8

$$$$