4-[(E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]acryloyl]benzonitrile Formula: C23H21N3O MolecularWeight: 355.43234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C23H21N3O/c1-16-4-6-20(7-5-16)15-26-18(3)22(17(2)25-26)12-13-23(27)21-10-8-19(14-24)9-11-21/h4-13H,15H2,1-3H3/b13-12+