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

Systemtic Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(methylamino)-4-phenyl-isoquinoline-3-carboxamide Openeye Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(methylamino)-4-phenyl-isoquinoline-3-carboxamide CAS Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(methylamino)-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(methylamino)-4-phenylisoquinoline-3-carboxamide Traditional Name: 5-[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=C1C=CC=C2CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4)C(=O)NC

Isomeric SMILES

CNC1=NC(=C(C2=C1C=CC=C2CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4)C(=O)NC

InChI

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