2-(3,5-dimethyl-1-adamantyl)-N-[1-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methyl]isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methyl]isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-5-isoquinolyl]acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]isoquinolin-5-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-keto-2-[4-(trifluoromethyl)benzyl]-5-isoquinolyl]acetamide Formula: C31H33F3N2O2 MolecularWeight: 522.60113

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=CC=C(C=C6)C(F)(F)F)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=CC=C(C=C6)C(F)(F)F)C

InChI

InChI=1S/C31H33F3N2O2/c1-28-12-21-13-29(2,17-28)19-30(14-21,18-28)15-26(37)35-25-5-3-4-24-23(25)10-11-36(27(24)38)16-20-6-8-22(9-7-20)31(32,33)34/h3-11,21H,12-19H2,1-2H3,(H,35,37)