55332932
  -OEChem-04242400252D

 52 55  0     0  0  0  0  0  0999 V2000
    2.0000    6.1374    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5832   -1.6374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421    1.9503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2531   -3.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8511   -2.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -3.1374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8511   -5.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    3.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172   -6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    4.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688    3.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    5.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    4.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    5.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7437   -0.2363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6908   -0.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1658    0.5746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5581    1.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082    1.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5644    4.3501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 14  2  0  0  0  0
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  4 22  2  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 11 12  1  0  0  0  0
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 26 28  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
55332932

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
703

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAEAAAAAAAAAAAAGAAAAWAAAAAwQAAAAAAAAAABwAAAHgIIAAAADCrBmiQyAIMABECqAyFyEACSAAAsBQAaiCG4DtgKZrKBtzmfMQBkzgGYqYeYyCCOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-pyridazine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-3-pyridazinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-butyl-<I>N</I>-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-<I>N</I>-cyclopropyl-6-oxopyridazine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxopyridazine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxidanylidene-pyridazine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-keto-pyridazine-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H22ClN5O3/c1-2-3-12-27-19(28)11-10-17(25-27)21(29)26(16-8-9-16)13-18-23-24-20(30-18)14-4-6-15(22)7-5-14/h4-7,10-11,16H,2-3,8-9,12-13H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
SICOOYZLAMTQJH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
427.1411173

> <PUBCHEM_MOLECULAR_FORMULA>
C21H22ClN5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
427.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCN1C(=O)C=CC(=N1)C(=O)N(CC2=NN=C(O2)C3=CC=C(C=C3)Cl)C4CC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCN1C(=O)C=CC(=N1)C(=O)N(CC2=NN=C(O2)C3=CC=C(C=C3)Cl)C4CC4

> <PUBCHEM_CACTVS_TPSA>
91.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
427.1411173

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
16  17  8
17  19  8
19  22  8
24  26  8
24  27  8
26  28  8
27  29  8
28  30  8
29  30  8
3  15  8
3  20  8
6  16  8
6  7  8
7  22  8
8  15  8
8  9  8
9  20  8

$$$$