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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN1CCCC1CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H37N3O2/c1-2-30-9-4-5-22(30)18-31-10-8-23-24(27(31)33)6-3-7-25(23)29-26(32)17-28-14-19-11-20(15-28)13-21(12-19)16-28/h3,6-8,10,19-22H,2,4-5,9,11-18H2,1H3,(H,29,32)