2-(1-adamantyl)-N-[2-(6-methylpyridin-3-yl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(6-methylpyridin-3-yl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(6-methyl-3-pyridyl)-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(6-methyl-3-pyridinyl)-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(6-methylpyridin-3-yl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-(6-methyl-3-pyridyl)-5-isoquinolyl]acetamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=NC=C(C=C1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3O2/c1-17-5-6-21(16-28-17)30-8-7-22-23(26(30)32)3-2-4-24(22)29-25(31)15-27-12-18-9-19(13-27)11-20(10-18)14-27/h2-8,16,18-20H,9-15H2,1H3,(H,29,31)