1-(4-methylphenyl)-3-(phenylcarbonyl)pyrazole-4-carbonitrile

Systemtic Name: 1-(4-methylphenyl)-3-(phenylcarbonyl)pyrazole-4-carbonitrile Openeye Name: 3-benzoyl-1-(p-tolyl)pyrazole-4-carbonitrile CAS Name: 3-benzoyl-1-(4-methylphenyl)-4-pyrazolecarbonitrile IUPAC Name: 3-benzoyl-1-(4-methylphenyl)pyrazole-4-carbonitrile Traditional Name: 3-benzoyl-1-(p-tolyl)pyrazole-4-carbonitrile Formula: C18H13N3O MolecularWeight: 287.31532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H13N3O/c1-13-7-9-16(10-8-13)21-12-15(11-19)17(20-21)18(22)14-5-3-2-4-6-14/h2-10,12H,1H3