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

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(1-methylpiperidin-4-yl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(1-methyl-4-piperidyl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(1-methyl-4-piperidinyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(1-methylpiperidin-4-yl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-keto-2-[(1-methyl-4-piperidyl)methyl]-5-isoquinolyl]acetamide Formula: C30H41N3O2 MolecularWeight: 475.66544

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6CCN(CC6)C)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6CCN(CC6)C)C

InChI

InChI=1S/C30H41N3O2/c1-28-13-22-14-29(2,18-28)20-30(15-22,19-28)16-26(34)31-25-6-4-5-24-23(25)9-12-33(27(24)35)17-21-7-10-32(3)11-8-21/h4-6,9,12,21-22H,7-8,10-11,13-20H2,1-3H3,(H,31,34)