3282696
  -OEChem-04192419102D

 45 48  0     0  0  0  0  0  0999 V2000
    8.9030   -3.9656    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -3.8850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.1141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.0646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854    2.6027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -3.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -3.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -4.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -4.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -2.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -3.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639    2.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746    3.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    4.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3176    3.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6282    4.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -1.3855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.7655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5956    0.4976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640   -4.7589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -2.0133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492   -5.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279   -2.3474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384    2.1924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8812    3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993    5.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7109    3.2191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2142    4.7589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 13  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  2  3  0  0  0
  5 24  1  0  0  0  0
  5 41  1  0  0  0  0
  6 24  1  0  0  0  0
  6 27  2  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 29  1  0  0  0  0
 12 17  2  0  0  0  0
 12 30  1  0  0  0  0
 13 18  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 28  2  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3282696

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
563

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oQAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/AAAHwAYAAAADAzBngw/8LNuGACoA7Z3ZACShCk3AiAc2CG4ZNiIIPLAlbGEIQhgmALIyacYicCegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-fluorophenyl)-[2-methyl-1-[(2-pyridylhydrazono)methyl]indolizin-3-yl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(4-fluorophenyl)-[2-methyl-1-[(2-pyridinylhydrazinylidene)methyl]-3-indolizinyl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4-fluorophenyl)-[2-methyl-1-[(pyridin-2-ylhydrazinylidene)methyl]indolizin-3-yl]methanone

> <PUBCHEM_IUPAC_NAME>
(4-fluorophenyl)-[2-methyl-1-[(pyridin-2-ylhydrazinylidene)methyl]indolizin-3-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-fluorophenyl)-[2-methyl-1-[(pyridin-2-ylhydrazinylidene)methyl]indolizin-3-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-fluorophenyl)-[2-methyl-1-[(2-pyridylhydrazono)methyl]indolizin-3-yl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H17FN4O/c1-15-18(14-25-26-20-7-2-4-12-24-20)19-6-3-5-13-27(19)21(15)22(28)16-8-10-17(23)11-9-16/h2-14H,1H3,(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
SHCZBHXYUXEUQJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.5

> <PUBCHEM_EXACT_MASS>
372.13863934

> <PUBCHEM_MOLECULAR_FORMULA>
C22H17FN4O

> <PUBCHEM_MOLECULAR_WEIGHT>
372.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(N2C=CC=CC2=C1C=NNC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(N2C=CC=CC2=C1C=NNC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)F

> <PUBCHEM_CACTVS_TPSA>
58.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
372.13863934

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  16  8
12  17  8
16  17  8
18  19  8
18  20  8
19  21  8
20  22  8
21  23  8
22  23  8
24  25  8
25  26  8
26  28  8
27  28  8
3  11  8
3  7  8
3  8  8
4  15  1
6  24  8
6  27  8
7  9  8
8  10  8
8  12  8
9  10  8

$$$$