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

Systemtic Name: methyl (E)-2-cyano-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylic acid methyl ester Formula: C21H17N3O2 MolecularWeight: 343.37858

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2/c1-15-8-10-16(11-9-15)20-18(12-17(13-22)21(25)26-2)14-24(23-20)19-6-4-3-5-7-19/h3-12,14H,1-2H3/b17-12+