25237284
  -OEChem-05132408112D

 48 51  0     0  0  0  0  0  0999 V2000
    5.6103   -5.5190    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    0.5112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.6675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.0493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    5.0576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -3.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -4.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -3.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -4.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -3.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -4.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    2.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    4.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    3.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    3.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -3.7053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -4.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.8627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749    0.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -2.4906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492   -5.5703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279   -2.8246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311   -4.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    1.5107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2928    2.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9598    1.9508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960    4.3623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4631    3.4906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059    5.1854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0852    5.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 24  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  2  0  0  0  0
  5 24  1  0  0  0  0
  5 42  1  0  0  0  0
  6 27  1  0  0  0  0
  6 47  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 12  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 32  1  0  0  0  0
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 12 19  2  0  0  0  0
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 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
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 19 38  1  0  0  0  0
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 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 28  1  0  0  0  0
 25 43  1  0  0  0  0
 26 29  2  0  0  0  0
 26 44  1  0  0  0  0
 27 28  2  0  0  0  0
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 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25237284

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
577

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oQAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHwAYAAAADAjBngw8wPNuEACoAzV3VACSgCA1AiAa2CE4ZNgIIPLAlZGEIQhgmADIyYcYicCeiAAAAAACAAAQAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-N-[(E)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methyleneamino]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-N-[(E)-[1-[(2-fluorophenyl)methyl]-3-indolyl]methylideneamino]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-<I>N</I>-[(<I>E</I>)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide

> <PUBCHEM_IUPAC_NAME>
4-amino-N-[(E)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-N-[(E)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-N-[(E)-[1-(2-fluorobenzyl)indol-3-yl]methyleneamino]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H19FN4O/c24-21-7-3-1-5-17(21)14-28-15-18(20-6-2-4-8-22(20)28)13-26-27-23(29)16-9-11-19(25)12-10-16/h1-13,15H,14,25H2,(H,27,29)/b26-13+

> <PUBCHEM_IUPAC_INCHIKEY>
GLHVUJOFFXVNAO-LGJNPRDNSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
386.15428940

> <PUBCHEM_MOLECULAR_FORMULA>
C23H19FN4O

> <PUBCHEM_MOLECULAR_WEIGHT>
386.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=NNC(=O)C4=CC=C(C=C4)N)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)/C=N/NC(=O)C4=CC=C(C=C4)N)F

> <PUBCHEM_CACTVS_TPSA>
72.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
386.15428940

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  11  8
12  18  8
12  19  8
13  15  8
14  16  8
15  16  8
18  20  8
19  21  8
20  22  8
21  22  8
23  25  8
23  26  8
25  28  8
26  29  8
27  28  8
27  29  8
3  11  8
3  7  8
7  13  8
7  8  8
8  10  8
8  14  8

$$$$