methyl (E)-2-cyano-3-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (E)-3-[1-benzyl-3-(p-tolyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(p-tolyl)pyrazol-4-yl]-2-cyano-acrylic acid methyl ester Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O2/c1-16-8-10-18(11-9-16)21-20(12-19(13-23)22(26)27-2)15-25(24-21)14-17-6-4-3-5-7-17/h3-12,15H,14H2,1-2H3/b19-12+