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

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(4-fluorophenyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(4-fluorophenyl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(4-fluorophenyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(4-fluorophenyl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-(4-fluorobenzyl)-1-keto-5-isoquinolyl]acetamide Formula: C30H33FN2O2 MolecularWeight: 472.593623

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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)F)C

Isomeric SMILES

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

InChI

InChI=1S/C30H33FN2O2/c1-28-12-21-13-29(2,17-28)19-30(14-21,18-28)15-26(34)32-25-5-3-4-24-23(25)10-11-33(27(24)35)16-20-6-8-22(31)9-7-20/h3-11,21H,12-19H2,1-2H3,(H,32,34)