2-[(4-chlorophenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]butanedinitrile

Systemtic Name: 2-[(4-chlorophenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]butanedinitrile Openeye Name: 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]butanedinitrile CAS Name: 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]butanedinitrile IUPAC Name: 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]butanedinitrile Traditional Name: 2-[(4-chlorophenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]succinonitrile Formula: C15H13ClN4O MolecularWeight: 300.74292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)Cl)C(CC#N)C#N

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)Cl)C(CC#N)C#N

InChI

InChI=1S/C15H13ClN4O/c1-9-13(15(21)20-19-9)14(11(8-18)6-7-17)10-2-4-12(16)5-3-10/h2-5,11,14H,6H2,1H3,(H2,19,20,21)