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

Systemtic Name: 2-[1-tert-butyl-3-(4-methylphenyl)pyrazol-4-yl]ethanenitrile Openeye Name: 2-[1-tert-butyl-3-(p-tolyl)pyrazol-4-yl]acetonitrile CAS Name: 2-[1-tert-butyl-3-(4-methylphenyl)-4-pyrazolyl]acetonitrile IUPAC Name: 2-[1-tert-butyl-3-(4-methylphenyl)pyrazol-4-yl]acetonitrile Traditional Name: 2-[1-tert-butyl-3-(p-tolyl)pyrazol-4-yl]acetonitrile Formula: C16H19N3 MolecularWeight: 253.34216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3/c1-12-5-7-13(8-6-12)15-14(9-10-17)11-19(18-15)16(2,3)4/h5-8,11H,9H2,1-4H3