2-(1-adamantyl)-N-[2-(6-morpholin-4-ylpyridin-3-yl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(6-morpholin-4-ylpyridin-3-yl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(6-morpholino-3-pyridyl)-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[6-(4-morpholinyl)-3-pyridinyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(6-morpholin-4-ylpyridin-3-yl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-(6-morpholino-3-pyridyl)-5-isoquinolyl]acetamide Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)N3C=CC4=C(C3=O)C=CC=C4NC(=O)CC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)N3C=CC4=C(C3=O)C=CC=C4NC(=O)CC56CC7CC(C5)CC(C7)C6

InChI

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