N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-1-ethyl-7-methyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-1-ethyl-7-methyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[(1E)-1-[cyano-[3-(trifluoromethyl)phenyl]methylene]-2,2-dimethyl-propyl]-1-ethyl-7-methyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-1-ethyl-7-methyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-1-ethyl-7-methyl-4-oxoquinoline-3-carboxamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-[3-(trifluoromethyl)phenyl]vinyl]-1-ethyl-4-keto-7-methyl-quinoline-3-carboxamide Formula: C27H26F3N3O2 MolecularWeight: 481.50945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)C)C(=O)NC(=C(C#N)C3=CC(=CC=C3)C(F)(F)F)C(C)(C)C

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)C)C(=O)N/C(=C(/C#N)\C3=CC(=CC=C3)C(F)(F)F)/C(C)(C)C

InChI

InChI=1S/C27H26F3N3O2/c1-6-33-15-21(23(34)19-11-10-16(2)12-22(19)33)25(35)32-24(26(3,4)5)20(14-31)17-8-7-9-18(13-17)27(28,29)30/h7-13,15H,6H2,1-5H3,(H,32,35)/b24-20-