2-(4-methoxyphenyl)-1-oxidanylidene-3-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)-1-oxidanylidene-3-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-1-oxo-3-(3-pyridyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-1-oxo-3-(3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-(4-methoxyphenyl)-1-oxo-3-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-2-(4-methoxyphenyl)-3-(3-pyridyl)-N-[3-(trifluoromethyl)benzyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C30H24F3N3O3 MolecularWeight: 531.52507

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC(=CC=C4)C(F)(F)F)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC(=CC=C4)C(F)(F)F)C5=CN=CC=C5

InChI

InChI=1S/C30H24F3N3O3/c1-39-23-13-11-22(12-14-23)36-27(20-7-5-15-34-18-20)26(24-9-2-3-10-25(24)29(36)38)28(37)35-17-19-6-4-8-21(16-19)30(31,32)33/h2-16,18,26-27H,17H2,1H3,(H,35,37)