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

Systemtic Name: (4-cyanophenyl) (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Openeye Name: (4-cyanophenyl) (E)-3-[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-propenoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]acrylic acid (4-cyanophenyl) ester Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)OC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)OC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C23H21N3O2/c1-16-4-6-20(7-5-16)15-26-18(3)22(17(2)25-26)12-13-23(27)28-21-10-8-19(14-24)9-11-21/h4-13H,15H2,1-3H3/b13-12+