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

Systemtic Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(5-fluoranyl-2-methyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(5-fluoro-2-methyl-phenyl)prop-2-enamide CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-N-(5-fluoro-2-methylphenyl)-2-propenamide IUPAC Name: (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyano-N-(5-fluoro-2-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(5-fluoro-2-methyl-phenyl)acrylamide Formula: C21H24FN3O MolecularWeight: 353.433163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=C(C=CC(=C2)F)C)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)F)C)C

InChI

InChI=1S/C21H24FN3O/c1-5-6-9-25-15(3)10-17(16(25)4)11-18(13-23)21(26)24-20-12-19(22)8-7-14(20)2/h7-8,10-12H,5-6,9H2,1-4H3,(H,24,26)/b18-11+