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

Systemtic Name: 2-cyclopropyl-3-(3-methoxyphenyl)-1-oxidanylidene-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-cyclopropyl-3-(3-methoxyphenyl)-1-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-cyclopropyl-3-(3-methoxyphenyl)-1-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-cyclopropyl-3-(3-methoxyphenyl)-1-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-cyclopropyl-1-keto-3-(3-methoxyphenyl)-N-[3-(trifluoromethyl)benzyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C28H25F3N2O3 MolecularWeight: 494.50491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C3=CC=CC=C3C(=O)N2C4CC4)C(=O)NCC5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2C(C3=CC=CC=C3C(=O)N2C4CC4)C(=O)NCC5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C28H25F3N2O3/c1-36-21-9-5-7-18(15-21)25-24(22-10-2-3-11-23(22)27(35)33(25)20-12-13-20)26(34)32-16-17-6-4-8-19(14-17)28(29,30)31/h2-11,14-15,20,24-25H,12-13,16H2,1H3,(H,32,34)