(E)-N-(4-acetamidophenyl)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enamide

Systemtic Name: (E)-N-(4-acetamidophenyl)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enamide Openeye Name: (E)-N-(4-acetamidophenyl)-2-cyano-3-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-N-(4-acetamidophenyl)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-propenamide IUPAC Name: (E)-N-(4-acetamidophenyl)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enamide Traditional Name: (E)-N-(4-acetamidophenyl)-2-cyano-3-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)acrylamide Formula: C23H28N4O2 MolecularWeight: 392.49402

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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=C(C=C2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-15(2)10-11-27-16(3)12-19(17(27)4)13-20(14-24)23(29)26-22-8-6-21(7-9-22)25-18(5)28/h6-9,12-13,15H,10-11H2,1-5H3,(H,25,28)(H,26,29)/b20-13+