2-(1-adamantyl)-N-[2-[4-(4-methylpiperazin-1-yl)butyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[4-(4-methylpiperazin-1-yl)butyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[4-(4-methylpiperazin-1-yl)butyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[4-(4-methyl-1-piperazinyl)butyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[4-(4-methylpiperazin-1-yl)butyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-[4-(4-methylpiperazino)butyl]-5-isoquinolyl]acetamide Formula: C30H42N4O2 MolecularWeight: 490.68008

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1CCN(CC1)CCCCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H42N4O2/c1-32-11-13-33(14-12-32)8-2-3-9-34-10-7-25-26(29(34)36)5-4-6-27(25)31-28(35)21-30-18-22-15-23(19-30)17-24(16-22)20-30/h4-7,10,22-24H,2-3,8-9,11-21H2,1H3,(H,31,35)