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

Systemtic Name: 2-cyano-N-(2,4-dichlorophenyl)-3-(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enamide Openeye Name: 2-cyano-N-(2,4-dichlorophenyl)-3-(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enamide CAS Name: 2-cyano-N-(2,4-dichlorophenyl)-3-[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]-2-propenamide IUPAC Name: 2-cyano-N-(2,4-dichlorophenyl)-3-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)prop-2-enamide Traditional Name: 2-cyano-N-(2,4-dichlorophenyl)-3-(5-fluoro-2-methyl-4-pyrrolidino-phenyl)acrylamide Formula: C21H18Cl2FN3O MolecularWeight: 418.291523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2FN3O/c1-13-8-20(27-6-2-3-7-27)18(24)10-14(13)9-15(12-25)21(28)26-19-5-4-16(22)11-17(19)23/h4-5,8-11H,2-3,6-7H2,1H3,(H,26,28)