N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(methylamino)-4-phenyl-isoquinoline-3-carboxamide

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(methylamino)-4-phenyl-isoquinoline-3-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(methylamino)-4-phenyl-isoquinoline-3-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(methylamino)-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(methylamino)-4-phenylisoquinoline-3-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]-N-methyl-1-(methylamino)-4-phenyl-isoquinoline-3-carboxamide Formula: C27H21F6N3O MolecularWeight: 517.465559

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)N(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CNC1=NC(=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)N(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H21F6N3O/c1-34-24-21-11-7-6-10-20(21)22(17-8-4-3-5-9-17)23(35-24)25(37)36(2)15-16-12-18(26(28,29)30)14-19(13-16)27(31,32)33/h3-14H,15H2,1-2H3,(H,34,35)