56642889
  -OEChem-05072419442D

 40 40  0     0  0  0  0  0  0999 V2000
    3.0680    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    9.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    9.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    9.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    6.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    6.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    5.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    5.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    6.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    7.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5571    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1771    3.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    9.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    7.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331   10.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    9.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2891    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    5.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9091    6.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0680    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 40  1  0  0  0  0
  2 16  1  0  0  0  0
  2 22  1  0  0  0  0
  3 13  1  0  0  0  0
  3 36  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 27  1  0  0  0  0
  6 15  1  0  0  0  0
  6 28  1  0  0  0  0
  7 11  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56642889

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
483

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAEAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAYCAAADAzhkAYyxoJiBgCoA6R2RACCDAAgIgIYqIE3bMgONjKEsZuBcCBk0BEI+MeSQAAAAAAAAAAAEAAAAAAAAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4Z)-5-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)hydrazino]methylene]-2-methyl-pyridin-3-one;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
(4Z)-5-(hydroxymethyl)-4-[[(2-methoxyphenyl)hydrazo]methylidene]-2-methyl-3-pyridinone;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>Z</I>)-5-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)hydrazinyl]methylidene]-2-methylpyridin-3-one;hydrochloride

> <PUBCHEM_IUPAC_NAME>
(4Z)-5-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)hydrazinyl]methylidene]-2-methylpyridin-3-one;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4Z)-5-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)hydrazinyl]methylidene]-2-methyl-pyridin-3-one;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4Z)-4-[[N'-(2-methoxyphenyl)hydrazino]methylene]-2-methyl-5-methylol-pyridin-3-one;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H17N3O3.ClH/c1-10-15(20)12(11(9-19)7-16-10)8-17-18-13-5-3-4-6-14(13)21-2;/h3-8,17-19H,9H2,1-2H3;1H/b12-8-;

> <PUBCHEM_IUPAC_INCHIKEY>
WSRCXQDITAZTRX-JCTPKUEWSA-N

> <PUBCHEM_EXACT_MASS>
323.1036691

> <PUBCHEM_MOLECULAR_FORMULA>
C15H18ClN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
323.77

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC=C(C(=CNNC2=CC=CC=C2OC)C1=O)CO.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC=C(/C(=C/NNC2=CC=CC=C2OC)/C1=O)CO.Cl

> <PUBCHEM_CACTVS_TPSA>
83

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.1036691

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  16  8
15  18  8
16  19  8
18  20  8
19  21  8
20  21  8

$$$$