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

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-(1,4-dioxan-2-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-(1,4-dioxan-2-ylmethyl)-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-(1,4-dioxan-2-ylmethyl)-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-(1,4-dioxan-2-ylmethyl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-(1,4-dioxan-2-ylmethyl)-1-keto-5-isoquinolyl]acetamide Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6COCCO6)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6COCCO6)C

InChI

InChI=1S/C28H36N2O4/c1-26-10-19-11-27(2,16-26)18-28(12-19,17-26)13-24(31)29-23-5-3-4-22-21(23)6-7-30(25(22)32)14-20-15-33-8-9-34-20/h3-7,19-20H,8-18H2,1-2H3,(H,29,31)