(E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-[(2-fluorophenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-[(2-fluorophenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-[(2-fluorophenyl)methyl]prop-2-enamide CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-N-[(2-fluorophenyl)methyl]-2-propenamide IUPAC Name: (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyano-N-[(2-fluorophenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(2-fluorobenzyl)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)NCC2=CC=CC=C2F)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2F)C

InChI

InChI=1S/C21H24FN3O/c1-4-5-10-25-15(2)11-18(16(25)3)12-19(13-23)21(26)24-14-17-8-6-7-9-20(17)22/h6-9,11-12H,4-5,10,14H2,1-3H3,(H,24,26)/b19-12+