2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enamide CAS Name: 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenamide IUPAC Name: 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide Traditional Name: 2-cyano-N-homoveratryl-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylamide Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C27H24N4O3S/c1-33-23-11-10-19(15-24(23)34-2)12-13-29-27(32)20(17-28)16-21-18-31(22-7-4-3-5-8-22)30-26(21)25-9-6-14-35-25/h3-11,14-16,18H,12-13H2,1-2H3,(H,29,32)