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

Systemtic Name: methyl (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-acrylic acid methyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OC)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)OC)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H21N3O4/c1-28-20-10-9-17(12-21(20)29-2)22-19(11-18(13-24)23(27)30-3)15-26(25-22)14-16-7-5-4-6-8-16/h4-12,15H,14H2,1-3H3/b18-11+