2-[2-(2-methylpropyl)-4,5-diphenyl-pyrazol-3-yl]ethanenitrile

Systemtic Name: 2-[2-(2-methylpropyl)-4,5-diphenyl-pyrazol-3-yl]ethanenitrile Openeye Name: 2-(2-isobutyl-4,5-diphenyl-pyrazol-3-yl)acetonitrile CAS Name: 2-[2-(2-methylpropyl)-4,5-diphenyl-3-pyrazolyl]acetonitrile IUPAC Name: 2-[2-(2-methylpropyl)-4,5-diphenylpyrazol-3-yl]acetonitrile Traditional Name: 2-(2-isobutyl-4,5-diphenyl-pyrazol-3-yl)acetonitrile Formula: C21H21N3 MolecularWeight: 315.41154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)CC#N

Isomeric SMILES

CC(C)CN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)CC#N

InChI

InChI=1S/C21H21N3/c1-16(2)15-24-19(13-14-22)20(17-9-5-3-6-10-17)21(23-24)18-11-7-4-8-12-18/h3-12,16H,13,15H2,1-2H3