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

Systemtic Name: (phenylmethyl) (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: benzyl (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-4-pyrazolyl]-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]acrylic acid benzyl ester Formula: C24H20N4O3 MolecularWeight: 412.4406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OCC3=CC=CC=C3)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)OCC3=CC=CC=C3)CCC#N

InChI

InChI=1S/C24H20N4O3/c1-30-22-10-8-19(9-11-22)23-21(16-28(27-23)13-5-12-25)14-20(15-26)24(29)31-17-18-6-3-2-4-7-18/h2-4,6-11,14,16H,5,13,17H2,1H3/b20-14+