2-(1-adamantyl)-N-[1-oxidanylidene-2-(phenylmethyl)isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[1-oxidanylidene-2-(phenylmethyl)isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-(2-benzyl-1-oxo-5-isoquinolyl)acetamide CAS Name: 2-(1-adamantyl)-N-[1-oxo-2-(phenylmethyl)-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-(2-benzyl-1-oxoisoquinolin-5-yl)acetamide Traditional Name: 2-(1-adamantyl)-N-(2-benzyl-1-keto-5-isoquinolyl)acetamide Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=CC=CC=C6

InChI

InChI=1S/C28H30N2O2/c31-26(17-28-14-20-11-21(15-28)13-22(12-20)16-28)29-25-8-4-7-24-23(25)9-10-30(27(24)32)18-19-5-2-1-3-6-19/h1-10,20-22H,11-18H2,(H,29,31)