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

Systemtic Name: 7-oxidanyl-N-phenyl-1-thiophen-2-yl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide Openeye Name: 7-hydroxy-N-phenyl-1-(2-thienyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide CAS Name: 7-hydroxy-N-phenyl-1-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 7-hydroxy-N-phenyl-1-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide Traditional Name: 7-hydroxy-N-phenyl-1-(2-thienyl)-2-[3-(trifluoromethoxy)benzyl]-1H-isoquinoline-4-carboxamide Formula: C28H21F3N2O3S MolecularWeight: 522.53815

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4=CC=CS4)CC5=CC(=CC=C5)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4=CC=CS4)CC5=CC(=CC=C5)OC(F)(F)F

InChI

InChI=1S/C28H21F3N2O3S/c29-28(30,31)36-21-9-4-6-18(14-21)16-33-17-24(27(35)32-19-7-2-1-3-8-19)22-12-11-20(34)15-23(22)26(33)25-10-5-13-37-25/h1-15,17,26,34H,16H2,(H,32,35)