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

Systemtic Name: 1-ethenyl-7-methoxy-6-oxidanyl-N-phenyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide Openeye Name: 6-hydroxy-7-methoxy-N-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1-vinyl-1H-isoquinoline-4-carboxamide CAS Name: 1-ethenyl-6-hydroxy-7-methoxy-N-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 1-ethenyl-6-hydroxy-7-methoxy-N-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoquinoline-4-carboxamide Traditional Name: 6-hydroxy-7-methoxy-N-phenyl-2-[3-(trifluoromethoxy)benzyl]-1-vinyl-1H-isoquinoline-4-carboxamide Formula: C27H23F3N2O4 MolecularWeight: 496.47773

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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)C=C)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)C=C)O

InChI

InChI=1S/C27H23F3N2O4/c1-3-23-21-14-25(35-2)24(33)13-20(21)22(26(34)31-18-9-5-4-6-10-18)16-32(23)15-17-8-7-11-19(12-17)36-27(28,29)30/h3-14,16,23,33H,1,15H2,2H3,(H,31,34)