2-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acetonitrile CAS Name: 2-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetonitrile Traditional Name: 2-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acetonitrile Formula: C18H15N3 MolecularWeight: 273.3318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3/c1-14-7-9-15(10-8-14)18-16(11-12-19)13-21(20-18)17-5-3-2-4-6-17/h2-10,13H,11H2,1H3