2-(1-adamantyl)-N-[2-[3-(1-methylpyrrolidin-2-yl)propyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[3-(1-methylpyrrolidin-2-yl)propyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[3-(1-methylpyrrolidin-2-yl)propyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[3-(1-methyl-2-pyrrolidinyl)propyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[3-(1-methylpyrrolidin-2-yl)propyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-[3-(1-methylpyrrolidin-2-yl)propyl]-5-isoquinolyl]acetamide Formula: C29H39N3O2 MolecularWeight: 461.63886

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1CCCC1CCCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H39N3O2/c1-31-10-3-5-23(31)6-4-11-32-12-9-24-25(28(32)34)7-2-8-26(24)30-27(33)19-29-16-20-13-21(17-29)15-22(14-20)18-29/h2,7-9,12,20-23H,3-6,10-11,13-19H2,1H3,(H,30,33)