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CHEBI:114798 - 2-[(3-chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile

ChEBI IDCHEBI:114798
ChEBI Name2-[(3-chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile
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FormulaC16H15ClN4O
Net Charge0
Average Mass314.776
Monoisotopic Mass314.09344
SMILESCCCc1nnc(=O)c1C(c1cccc(Cl)c1)C(C#N)C#N
InChIInChI=1S/C16H15ClN4O/c1-2-4-13-15(16(22)21-20-13)14(11(8-18)9-19)10-5-3-6-12(17)7-10/h3,5-7,11,14H,2,4H2,1H3,(H2,20,21,22)
InChIKeyXZBNCNIMVWBANH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3-chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile (CHEBI:114798) is a organochlorine compound (CHEBI:36683)
Manual XrefsDatabases
LSM-26260LINCS