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

Systemtic Name: (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-N-phenethyl-prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-N-phenethyl-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-N-phenethyl-acrylamide Formula: C30H28N4O3 MolecularWeight: 492.56832

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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)NCCC3=CC=CC=C3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C30H28N4O3/c1-36-27-14-13-24(18-28(27)37-2)29-26(21-34(33-29)20-23-11-7-4-8-12-23)17-25(19-31)30(35)32-16-15-22-9-5-3-6-10-22/h3-14,17-18,21H,15-16,20H2,1-2H3,(H,32,35)/b25-17+