2-(1-adamantyl)-N-[2-(2-morpholin-4-ylpyridin-3-yl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylpyridin-3-yl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(2-morpholino-3-pyridyl)-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[2-(4-morpholinyl)-3-pyridinyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylpyridin-3-yl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-(2-morpholino-3-pyridyl)-5-isoquinolyl]acetamide Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=N2)N3C=CC4=C(C3=O)C=CC=C4NC(=O)CC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1COCCN1C2=C(C=CC=N2)N3C=CC4=C(C3=O)C=CC=C4NC(=O)CC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C30H34N4O3/c35-27(19-30-16-20-13-21(17-30)15-22(14-20)18-30)32-25-4-1-3-24-23(25)6-8-34(29(24)36)26-5-2-7-31-28(26)33-9-11-37-12-10-33/h1-8,20-22H,9-19H2,(H,32,35)