N-(3-bromophenyl)-2-cyano-3-(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enamide

Systemtic Name: N-(3-bromophenyl)-2-cyano-3-(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enamide Openeye Name: N-(3-bromophenyl)-2-cyano-3-(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enamide CAS Name: N-(3-bromophenyl)-2-cyano-3-[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]-2-propenamide IUPAC Name: N-(3-bromophenyl)-2-cyano-3-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)prop-2-enamide Traditional Name: N-(3-bromophenyl)-2-cyano-3-(5-fluoro-2-methyl-4-pyrrolidino-phenyl)acrylamide Formula: C21H19BrFN3O MolecularWeight: 428.297463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C(=O)NC2=CC(=CC=C2)Br)F)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C=C(C#N)C(=O)NC2=CC(=CC=C2)Br)F)N3CCCC3

InChI

InChI=1S/C21H19BrFN3O/c1-14-9-20(26-7-2-3-8-26)19(23)11-15(14)10-16(13-24)21(27)25-18-6-4-5-17(22)12-18/h4-6,9-12H,2-3,7-8H2,1H3,(H,25,27)