1-ethenyl-7-oxidanyl-N-phenyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide

Systemtic Name: 1-ethenyl-7-oxidanyl-N-phenyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide Openeye Name: 7-hydroxy-N-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1-vinyl-1H-isoquinoline-4-carboxamide CAS Name: 1-ethenyl-7-hydroxy-N-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 1-ethenyl-7-hydroxy-N-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide Traditional Name: 7-hydroxy-N-phenyl-2-[3-(trifluoromethoxy)benzyl]-1-vinyl-1H-isoquinoline-4-carboxamide Formula: C26H21F3N2O3 MolecularWeight: 466.45175

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC(=CC=C3)OC(F)(F)F)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C=CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC(=CC=C3)OC(F)(F)F)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H21F3N2O3/c1-2-24-22-14-19(32)11-12-21(22)23(25(33)30-18-8-4-3-5-9-18)16-31(24)15-17-7-6-10-20(13-17)34-26(27,28)29/h2-14,16,24,32H,1,15H2,(H,30,33)