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

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-N-(2-methylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)-N-(o-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-N-(2-methylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-N-(2-methylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)-N-(o-tolyl)acrylamide Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=C(N(C(=C2)C)CC(C)C)C)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C/C2=C(N(C(=C2)C)CC(C)C)C)/C#N

InChI

InChI=1S/C21H25N3O/c1-14(2)13-24-16(4)10-18(17(24)5)11-19(12-22)21(25)23-20-9-7-6-8-15(20)3/h6-11,14H,13H2,1-5H3,(H,23,25)/b19-11+