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

Systemtic Name: prop-2-enyl (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: allyl (E)-3-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-3-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-2-cyano-acrylic acid allyl ester Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3/c1-3-13-30-24(28)20(15-25)14-21-17-27(16-18-7-5-4-6-8-18)26-23(21)19-9-11-22(29-2)12-10-19/h3-12,14,17H,1,13,16H2,2H3/b20-14+