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

Systemtic Name: 1-cyclopropyl-7-oxidanyl-N-phenyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide Openeye Name: 1-cyclopropyl-7-hydroxy-N-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide CAS Name: 1-cyclopropyl-7-hydroxy-N-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 1-cyclopropyl-7-hydroxy-N-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide Traditional Name: 1-cyclopropyl-7-hydroxy-N-phenyl-2-[3-(trifluoromethoxy)benzyl]-1H-isoquinoline-4-carboxamide Formula: C27H23F3N2O3 MolecularWeight: 480.47833

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2C3=C(C=CC(=C3)O)C(=CN2CC4=CC(=CC=C4)OC(F)(F)F)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CC1C2C3=C(C=CC(=C3)O)C(=CN2CC4=CC(=CC=C4)OC(F)(F)F)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H23F3N2O3/c28-27(29,30)35-21-8-4-5-17(13-21)15-32-16-24(26(34)31-19-6-2-1-3-7-19)22-12-11-20(33)14-23(22)25(32)18-9-10-18/h1-8,11-14,16,18,25,33H,9-10,15H2,(H,31,34)