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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC=CC=C2C)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C)C

InChI

InChI=1S/C21H25N3O/c1-5-6-11-24-16(3)12-18(17(24)4)13-19(14-22)21(25)23-20-10-8-7-9-15(20)2/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,25)/b19-13+