46496320
  -OEChem-04242410152D

 42 44  0     0  0  0  0  0  0999 V2000
    5.4641    6.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -7.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 15  2  0  0  0  0
  3 18  2  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 37  1  0  0  0  0
  6 23  2  0  0  0  0
  7 22  1  0  0  0  0
  7 27  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  2  0  0  0  0
 11 29  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  2  0  0  0  0
 17 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46496320

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
526

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sQAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHwAYAAAADAjBngw8wJLqEACoAzV3VACSgCA1AiAa2CE4ZNgIIPLAlZGEIQhgnADIyYcYiQCeCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[(4-fluorobenzoyl)amino]-N-[(E)-2-pyridylmethyleneamino]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[[(4-fluorophenyl)-oxomethyl]amino]-N-[(E)-2-pyridinylmethylideneamino]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[(4-fluorobenzoyl)amino]-<I>N</I>-[(<I>E</I>)-pyridin-2-ylmethylideneamino]benzamide

> <PUBCHEM_IUPAC_NAME>
4-[(4-fluorobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[(4-fluorophenyl)carbonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[(4-fluorobenzoyl)amino]-N-[(E)-2-pyridylmethyleneamino]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H15FN4O2/c21-16-8-4-14(5-9-16)19(26)24-17-10-6-15(7-11-17)20(27)25-23-13-18-3-1-2-12-22-18/h1-13H,(H,24,26)(H,25,27)/b23-13+

> <PUBCHEM_IUPAC_INCHIKEY>
FGUSSLAWMJYLMV-YDZHTSKRSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
362.11790390

> <PUBCHEM_MOLECULAR_FORMULA>
C20H15FN4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
362.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=NC(=C1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=NC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

> <PUBCHEM_CACTVS_TPSA>
83.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
362.11790390

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  12  8
11  13  8
14  16  8
14  17  8
16  19  8
17  20  8
19  21  8
20  21  8
22  24  8
24  25  8
25  26  8
26  27  8
7  22  8
7  27  8
8  10  8
8  11  8
9  12  8
9  13  8

$$$$