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

Systemtic Name: 2-(1-adamantyl)-N-[2-[(4-dimethylaminophenyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[(4-dimethylaminophenyl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[(4-dimethylaminophenyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[(4-dimethylaminophenyl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[4-(dimethylamino)benzyl]-1-keto-5-isoquinolyl]acetamide Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H35N3O2/c1-32(2)24-8-6-20(7-9-24)19-33-11-10-25-26(29(33)35)4-3-5-27(25)31-28(34)18-30-15-21-12-22(16-30)14-23(13-21)17-30/h3-11,21-23H,12-19H2,1-2H3,(H,31,34)