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

Systemtic Name: 1-methyl-7-oxidanyl-N-phenyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide Openeye Name: 7-hydroxy-1-methyl-N-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide CAS Name: 7-hydroxy-1-methyl-N-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 7-hydroxy-1-methyl-N-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide Traditional Name: 7-hydroxy-1-methyl-N-phenyl-2-[3-(trifluoromethoxy)benzyl]-1H-isoquinoline-4-carboxamide Formula: C25H21F3N2O3 MolecularWeight: 454.44105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21F3N2O3/c1-16-22-13-19(31)10-11-21(22)23(24(32)29-18-7-3-2-4-8-18)15-30(16)14-17-6-5-9-20(12-17)33-25(26,27)28/h2-13,15-16,31H,14H2,1H3,(H,29,32)