7-methoxy-6-oxidanyl-N-phenyl-1-thiophen-2-yl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide

Systemtic Name: 7-methoxy-6-oxidanyl-N-phenyl-1-thiophen-2-yl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide Openeye Name: 6-hydroxy-7-methoxy-N-phenyl-1-(2-thienyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide CAS Name: 6-hydroxy-7-methoxy-N-phenyl-1-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 6-hydroxy-7-methoxy-N-phenyl-1-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide Traditional Name: 6-hydroxy-7-methoxy-N-phenyl-1-(2-thienyl)-2-[3-(trifluoromethoxy)benzyl]-1H-isoquinoline-4-carboxamide Formula: C29H23F3N2O4S MolecularWeight: 552.56413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=CC(=CC=C4)OC(F)(F)F)C5=CC=CS5)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=CC(=CC=C4)OC(F)(F)F)C5=CC=CS5)O

InChI

InChI=1S/C29H23F3N2O4S/c1-37-25-15-22-21(14-24(25)35)23(28(36)33-19-8-3-2-4-9-19)17-34(27(22)26-11-6-12-39-26)16-18-7-5-10-20(13-18)38-29(30,31)32/h2-15,17,27,35H,16H2,1H3,(H,33,36)