2-(1-adamantyl)-N-[2-(2-methoxypyridin-3-yl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(2-methoxypyridin-3-yl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(2-methoxy-3-pyridyl)-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(2-methoxy-3-pyridinyl)-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(2-methoxypyridin-3-yl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-(2-methoxy-3-pyridyl)-5-isoquinolyl]acetamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=CC=N1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3O3/c1-33-25-23(6-3-8-28-25)30-9-7-20-21(26(30)32)4-2-5-22(20)29-24(31)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h2-9,17-19H,10-16H2,1H3,(H,29,31)