56642880
  -OEChem-04192413522D

 37 37  0     0  0  0  0  0  0999 V2000
    3.6106    0.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6106    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0747    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    5.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    3.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6106    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0747    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    4.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8751    4.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9532    6.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5547    7.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3985    5.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8751    7.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    7.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6307    4.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2507    5.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8057    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9397    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7456    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7456    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    3.5475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 37  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 13  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 15  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56642880

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
343

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAGAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgIYAAAACA7hkCYzwINiBACoAKZyYACSBAAgBwAZiACoZogKICKBm7GHIABgmACYyAcQAAAAAAAAAAIAAAAAAAAABAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1Z)-1-[(3-chlorophenyl)hydrazono]-1-morpholino-propan-2-one;hydrochloride

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1Z)-1-[(3-chlorophenyl)hydrazono]-1-morpholino-acetone;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H16ClN3O2.ClH/c1-10(18)13(17-5-7-19-8-6-17)16-15-12-4-2-3-11(14)9-12;/h2-4,9,15H,5-8H2,1H3;1H/b16-13-;

> <PUBCHEM_IUPAC_INCHIKEY>
LCEKMYCWKGBIKW-UNVLYCKESA-N

> <PUBCHEM_EXACT_MASS>
317.0697822

> <PUBCHEM_MOLECULAR_FORMULA>
C13H17Cl2N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
318.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C(=NNC1=CC(=CC=C1)Cl)N2CCOCC2.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)/C(=N/NC1=CC(=CC=C1)Cl)/N2CCOCC2.Cl

> <PUBCHEM_CACTVS_TPSA>
53.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
317.0697822

> <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>
15  16  8
15  17  8
16  18  8
17  19  8
18  20  8
19  20  8

$$$$