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

Systemtic Name: 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(2-morpholinoethyl)-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[2-(4-morpholinyl)ethyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-(2-morpholinoethyl)-5-isoquinolyl]acetamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCCN1CCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H35N3O3/c31-25(18-27-15-19-12-20(16-27)14-21(13-19)17-27)28-24-3-1-2-23-22(24)4-5-30(26(23)32)7-6-29-8-10-33-11-9-29/h1-5,19-21H,6-18H2,(H,28,31)