phenacyl 3-[1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: phenacyl 3-[1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: phenacyl 3-[1-(2-cyanoethyl)-3-(p-tolyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-[1-(2-cyanoethyl)-3-(4-methylphenyl)-4-pyrazolyl]-2-propenoic acid phenacyl ester IUPAC Name: phenacyl 3-[1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: 3-[1-(2-cyanoethyl)-3-(p-tolyl)pyrazol-4-yl]acrylic acid phenacyl ester Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)C3=CC=CC=C3)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C24H21N3O3/c1-18-8-10-20(11-9-18)24-21(16-27(26-24)15-5-14-25)12-13-23(29)30-17-22(28)19-6-3-2-4-7-19/h2-4,6-13,16H,5,15,17H2,1H3