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

Systemtic Name: 2-[(4-chlorophenyl)-(3-oxidanylidene-5-phenyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Openeye Name: 2-[(4-chlorophenyl)-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile CAS Name: 2-[(4-chlorophenyl)-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile IUPAC Name: 2-[(4-chlorophenyl)-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Traditional Name: 2-[(4-chlorophenyl)-(3-keto-5-phenyl-3-pyrazolin-4-yl)methyl]malononitrile Formula: C19H13ClN4O MolecularWeight: 348.78572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NN2)C(C3=CC=C(C=C3)Cl)C(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NN2)C(C3=CC=C(C=C3)Cl)C(C#N)C#N

InChI

InChI=1S/C19H13ClN4O/c20-15-8-6-12(7-9-15)16(14(10-21)11-22)17-18(23-24-19(17)25)13-4-2-1-3-5-13/h1-9,14,16H,(H2,23,24,25)