56642821
  -OEChem-05122404102D

 40 40  0     0  0  0  0  0  0999 V2000
    7.4776    3.5475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    5.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    3.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    4.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    4.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9532    6.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5547    7.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    5.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    7.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    7.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6307    4.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2507    5.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3006    1.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9206    0.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    3.5475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 40  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6 13  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56642821

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
338

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAYAAAADAzhmAYzwINiBACoAqZyYACSBAAgAgAZiACoZIgKICKAmbGHIABgmACYyAcQgAAOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1Z)-1-morpholino-1-(m-tolylhydrazono)propan-2-one;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
(1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-(4-morpholinyl)-2-propanone;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>Z</I>)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride

> <PUBCHEM_IUPAC_NAME>
(1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-yl-propan-2-one;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1Z)-1-morpholino-1-(m-tolylhydrazono)acetone;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H19N3O2.ClH/c1-11-4-3-5-13(10-11)15-16-14(12(2)18)17-6-8-19-9-7-17;/h3-5,10,15H,6-9H2,1-2H3;1H/b16-14-;

> <PUBCHEM_IUPAC_INCHIKEY>
MWLGOFRUOHCLRR-ULQCMBKMSA-N

> <PUBCHEM_EXACT_MASS>
297.1244046

> <PUBCHEM_MOLECULAR_FORMULA>
C14H20ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
297.78

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC=C1)NN=C(C(=O)C)N2CCOCC2.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC=C1)N/N=C(/C(=O)C)\N2CCOCC2.Cl

> <PUBCHEM_CACTVS_TPSA>
53.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
297.1244046

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
13  15  8
13  17  8
15  16  8
16  18  8
17  19  8
18  19  8

$$$$