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

Systemtic Name: N-[2-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanylidene-isoquinolin-5-yl]-2-(3,5-dimethyl-1-adamantyl)ethanamide Openeye Name: N-[2-[(2,4-difluorophenyl)methyl]-1-oxo-5-isoquinolyl]-2-(3,5-dimethyl-1-adamantyl)acetamide CAS Name: N-[2-[(2,4-difluorophenyl)methyl]-1-oxo-5-isoquinolinyl]-2-(3,5-dimethyl-1-adamantyl)acetamide IUPAC Name: N-[2-[(2,4-difluorophenyl)methyl]-1-oxoisoquinolin-5-yl]-2-(3,5-dimethyl-1-adamantyl)acetamide Traditional Name: N-[2-(2,4-difluorobenzyl)-1-keto-5-isoquinolyl]-2-(3,5-dimethyl-1-adamantyl)acetamide Formula: C30H32F2N2O2 MolecularWeight: 490.584086

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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=C(C=C(C=C6)F)F)C

Isomeric SMILES

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

InChI

InChI=1S/C30H32F2N2O2/c1-28-11-19-12-29(2,16-28)18-30(13-19,17-28)14-26(35)33-25-5-3-4-23-22(25)8-9-34(27(23)36)15-20-6-7-21(31)10-24(20)32/h3-10,19H,11-18H2,1-2H3,(H,33,35)