2-cyano-N-(3-ethoxyphenyl)-3-[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide

Systemtic Name: 2-cyano-N-(3-ethoxyphenyl)-3-[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide Openeye Name: 2-cyano-N-(3-ethoxyphenyl)-3-[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide CAS Name: 2-cyano-N-(3-ethoxyphenyl)-3-[1-(4-ethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenamide IUPAC Name: 2-cyano-N-(3-ethoxyphenyl)-3-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide Traditional Name: 2-cyano-3-[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-N-m-phenetyl-acrylamide Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC(=CC=C3)OCC)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC(=CC=C3)OCC)C

InChI

InChI=1S/C26H27N3O2/c1-5-20-10-12-24(13-11-20)29-18(3)14-21(19(29)4)15-22(17-27)26(30)28-23-8-7-9-25(16-23)31-6-2/h7-16H,5-6H2,1-4H3,(H,28,30)