28910092
  -OEChem-05142407002D

 47 49  0     0  0  0  0  0  0999 V2000
    2.0000    2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -4.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -5.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -3.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -3.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -5.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -5.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 26  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 19  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 13  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 41  1  0  0  0  0
 18 21  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 45  1  0  0  0  0
 24 26  2  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
M  CHG  1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
28910092

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
561

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAGAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAAABAAAAHgIAAAAADAbhmCYwAIMABACIAqBWQAACAAAgJwAIiAEIAsgKIDKBUxCHIAAggACYiMcIiICOBAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(2,4-dichlorophenyl)methyl]-1-(3-morpholinopropyl)-4-oxo-pyridin-2-olate

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(2,4-dichlorophenyl)methyl]-1-[3-(4-morpholinyl)propyl]-4-oxo-2-pyridinolate

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[(2,4-dichlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridin-2-olate

> <PUBCHEM_IUPAC_NAME>
3-[(2,4-dichlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxopyridin-2-olate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(2,4-dichlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxidanylidene-pyridin-2-olate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2,4-dichlorobenzyl)-4-keto-1-(3-morpholinopropyl)pyridin-2-olate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22Cl2N2O3/c20-15-3-2-14(17(21)13-15)12-16-18(24)4-7-23(19(16)25)6-1-5-22-8-10-26-11-9-22/h2-4,7,13,25H,1,5-6,8-12H2/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
APTPUILUBJAMOI-UHFFFAOYSA-M

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
395.0929229

> <PUBCHEM_MOLECULAR_FORMULA>
C19H21Cl2N2O3-

> <PUBCHEM_MOLECULAR_WEIGHT>
396.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1CCCN2C=CC(=O)C(=C2[O-])CC3=C(C=C(C=C3)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1CCCN2C=CC(=O)C(=C2[O-])CC3=C(C=C(C=C3)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
55.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
395.0929229

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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>
15  16  8
16  19  8
17  20  8
19  20  8
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8
7  15  8
7  17  8

$$$$