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

Systemtic Name: methyl (E)-2-cyano-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyano-acrylic acid methyl ester Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2/c1-16-9-10-19(11-17(16)2)22-21(12-20(13-24)23(27)28-3)15-26(25-22)14-18-7-5-4-6-8-18/h4-12,15H,14H2,1-3H3/b20-12+