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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)N3CCCC3)F)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)N3CCCC3)F)/C#N)C

InChI

InChI=1S/C22H22FN3O/c1-15-9-16(2)11-19(10-15)25-22(27)18(14-24)12-17-5-6-21(20(23)13-17)26-7-3-4-8-26/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,25,27)/b18-12+