(E)-3-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide Openeye Name: (E)-3-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide CAS Name: (E)-3-(4-acetamidophenyl)-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide Traditional Name: (E)-3-(4-acetamidophenyl)-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]acrylamide Formula: C22H22F3N3O2 MolecularWeight: 417.42419

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

InChI

InChI=1S/C22H22F3N3O2/c1-15(29)26-18-8-4-16(5-9-18)6-11-21(30)27-19-14-17(22(23,24)25)7-10-20(19)28-12-2-3-13-28/h4-11,14H,2-3,12-13H2,1H3,(H,26,29)(H,27,30)/b11-6+