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

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-N-(2-ethylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-ethylphenyl)-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-ethylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-N-(2-ethylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2-ethylphenyl)-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylamide Formula: C22H27N3O MolecularWeight: 349.46928

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O/c1-6-18-9-7-8-10-21(18)24-22(26)20(13-23)12-19-11-16(4)25(17(19)5)14-15(2)3/h7-12,15H,6,14H2,1-5H3,(H,24,26)/b20-12+