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

Systemtic Name: methyl (E)-2-cyano-3-[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (E)-3-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-cyano-acrylic acid methyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3/c1-27-20-10-6-9-17(12-20)21-19(11-18(13-23)22(26)28-2)15-25(24-21)14-16-7-4-3-5-8-16/h3-12,15H,14H2,1-2H3/b18-11+