(E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-homoveratryl-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C23H22N4O3 MolecularWeight: 402.44578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)/C(=C/C2=CN(N=C2)C3=CC=CC=C3)/C#N)OC

InChI

InChI=1S/C23H22N4O3/c1-29-21-9-8-17(13-22(21)30-2)10-11-25-23(28)19(14-24)12-18-15-26-27(16-18)20-6-4-3-5-7-20/h3-9,12-13,15-16H,10-11H2,1-2H3,(H,25,28)/b19-12+