(E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-N-(2-ethyl-6-methyl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-N-(2-ethyl-6-methyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-ethyl-6-methyl-phenyl)-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-N-(2-ethyl-6-methylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-N-(2-ethyl-6-methylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2-ethyl-6-methyl-phenyl)-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylamide Formula: C23H29N3O MolecularWeight: 363.49586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(=CC2=C(N(C(=C2)C)CC(C)C)C)C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)/C(=C/C2=C(N(C(=C2)C)CC(C)C)C)/C#N)C

InChI

InChI=1S/C23H29N3O/c1-7-19-10-8-9-16(4)22(19)25-23(27)21(13-24)12-20-11-17(5)26(18(20)6)14-15(2)3/h8-12,15H,7,14H2,1-6H3,(H,25,27)/b21-12+