(E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-N-(3-ethanoylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-N-(3-ethanoylphenyl)prop-2-enamide Openeye Name: (E)-N-(3-acetylphenyl)-2-cyano-3-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-N-(3-acetylphenyl)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-propenamide IUPAC Name: (E)-N-(3-acetylphenyl)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enamide Traditional Name: (E)-N-(3-acetylphenyl)-2-cyano-3-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)acrylamide Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C23H27N3O2/c1-15(2)9-10-26-16(3)11-20(17(26)4)12-21(14-24)23(28)25-22-8-6-7-19(13-22)18(5)27/h6-8,11-13,15H,9-10H2,1-5H3,(H,25,28)/b21-12+