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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-cyano-3-(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-cyano-3-(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enamide CAS Name: N-(3-chloro-2-methylphenyl)-2-cyano-3-[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]-2-propenamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-cyano-3-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)prop-2-enamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-cyano-3-(5-fluoro-2-methyl-4-pyrrolidino-phenyl)acrylamide Formula: C22H21ClFN3O MolecularWeight: 397.873043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClFN3O/c1-14-10-21(27-8-3-4-9-27)19(24)12-16(14)11-17(13-25)22(28)26-20-7-5-6-18(23)15(20)2/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,26,28)