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CHEBI:116514 - 2-[[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]-phenylmethyl]propanedinitrile

ChEBI IDCHEBI:116514
ChEBI Name2-[[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]-phenylmethyl]propanedinitrile
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DownloadsMolfile
FormulaC21H18N4O
Net Charge0
Average Mass342.402
Monoisotopic Mass342.14806
SMILESCC1=NN(Cc2ccccc2)C(=O)C1C(c1ccccc1)C(C#N)C#N
InChIInChI=1S/C21H18N4O/c1-15-19(20(18(12-22)13-23)17-10-6-3-7-11-17)21(26)25(24-15)14-16-8-4-2-5-9-16/h2-11,18-20H,14H2,1H3
InChIKeyZIGSJELRQGYINN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]-phenylmethyl]propanedinitrile (CHEBI:116514) is a pyrazoles (CHEBI:26410)
Manual XrefsDatabases
LSM-27968LINCS