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

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-N-(2-methylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-N-(o-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-N-(2-methylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-N-(2-methylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-N-(o-tolyl)acrylamide Formula: C22H27N3O MolecularWeight: 349.46928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O/c1-15(2)10-11-25-17(4)12-19(18(25)5)13-20(14-23)22(26)24-21-9-7-6-8-16(21)3/h6-9,12-13,15H,10-11H2,1-5H3,(H,24,26)/b20-13+