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

Systemtic Name: 2-cyano-3-(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-2-cyano-3-(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enamide CAS Name: 2-cyano-3-[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-2-cyano-3-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)prop-2-enamide Traditional Name: N-benzyl-2-cyano-3-(5-fluoro-2-methyl-4-pyrrolidino-phenyl)acrylamide Formula: C22H22FN3O MolecularWeight: 363.427983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C(=O)NCC2=CC=CC=C2)F)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C=C(C#N)C(=O)NCC2=CC=CC=C2)F)N3CCCC3

InChI

InChI=1S/C22H22FN3O/c1-16-11-21(26-9-5-6-10-26)20(23)13-18(16)12-19(14-24)22(27)25-15-17-7-3-2-4-8-17/h2-4,7-8,11-13H,5-6,9-10,15H2,1H3,(H,25,27)