2-(1-adamantyl)-N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[(2-chloro-6-fluoro-phenyl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[(2-chloro-6-fluorophenyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[(2-chloro-6-fluorophenyl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(2-chloro-6-fluoro-benzyl)-1-keto-5-isoquinolyl]acetamide Formula: C28H28ClFN2O2 MolecularWeight: 478.985523

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=C(C=CC=C6Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=C(C=CC=C6Cl)F

InChI

InChI=1S/C28H28ClFN2O2/c29-23-4-2-5-24(30)22(23)16-32-8-7-20-21(27(32)34)3-1-6-25(20)31-26(33)15-28-12-17-9-18(13-28)11-19(10-17)14-28/h1-8,17-19H,9-16H2,(H,31,33)