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

Systemtic Name: (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-acrylamide Formula: C22H20N4O3 MolecularWeight: 388.4192

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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)N)CC3=CC=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c1-28-19-9-8-16(11-20(19)29-2)21-18(10-17(12-23)22(24)27)14-26(25-21)13-15-6-4-3-5-7-15/h3-11,14H,13H2,1-2H3,(H2,24,27)/b17-10+