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

Systemtic Name: 2-(1-adamantyl)-N-[2-(1,4-dioxan-2-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(1,4-dioxan-2-ylmethyl)-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(1,4-dioxan-2-ylmethyl)-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(1,4-dioxan-2-ylmethyl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(1,4-dioxan-2-ylmethyl)-1-keto-5-isoquinolyl]acetamide Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CO1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COC(CO1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H32N2O4/c29-24(14-26-11-17-8-18(12-26)10-19(9-17)13-26)27-23-3-1-2-22-21(23)4-5-28(25(22)30)15-20-16-31-6-7-32-20/h1-5,17-20H,6-16H2,(H,27,29)