2-(1-adamantyl)-N-[2-[(1-methylpiperidin-4-yl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[(1-methylpiperidin-4-yl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[(1-methyl-4-piperidyl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[(1-methyl-4-piperidinyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[(1-methylpiperidin-4-yl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-[(1-methyl-4-piperidyl)methyl]-5-isoquinolyl]acetamide Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1CCC(CC1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H37N3O2/c1-30-8-5-19(6-9-30)18-31-10-7-23-24(27(31)33)3-2-4-25(23)29-26(32)17-28-14-20-11-21(15-28)13-22(12-20)16-28/h2-4,7,10,19-22H,5-6,8-9,11-18H2,1H3,(H,29,32)