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

Systemtic Name: 2-(1-adamantyl)-N-[1-oxidanylidene-2-(6-phenoxypyridin-3-yl)isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[1-oxo-2-(6-phenoxy-3-pyridyl)-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[1-oxo-2-(6-phenoxy-3-pyridinyl)-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[1-oxo-2-(6-phenoxypyridin-3-yl)isoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-(6-phenoxy-3-pyridyl)-5-isoquinolyl]acetamide Formula: C32H31N3O3 MolecularWeight: 505.60684

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)C6=CN=C(C=C6)OC7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)C6=CN=C(C=C6)OC7=CC=CC=C7

InChI

InChI=1S/C32H31N3O3/c36-29(19-32-16-21-13-22(17-32)15-23(14-21)18-32)34-28-8-4-7-27-26(28)11-12-35(31(27)37)24-9-10-30(33-20-24)38-25-5-2-1-3-6-25/h1-12,20-23H,13-19H2,(H,34,36)