(E)-N-(3-acetamido-2-methyl-phenyl)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enamide

Systemtic Name: (E)-N-(3-acetamido-2-methyl-phenyl)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enamide Openeye Name: (E)-N-(3-acetamido-2-methyl-phenyl)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-N-(3-acetamido-2-methylphenyl)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenamide IUPAC Name: (E)-N-(3-acetamido-2-methylphenyl)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enamide Traditional Name: (E)-N-(3-acetamido-2-methyl-phenyl)-2-cyano-3-(1-isobutyl-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(N1CC(C)C)C)C=C(C#N)C(=O)NC2=C(C(=CC=C2)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)NC2=C(C(=CC=C2)NC(=O)C)C

InChI

InChI=1S/C23H28N4O2/c1-14(2)13-27-15(3)10-19(17(27)5)11-20(12-24)23(29)26-22-9-7-8-21(16(22)4)25-18(6)28/h7-11,14H,13H2,1-6H3,(H,25,28)(H,26,29)/b20-11+