N-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-(p-tolyl)-8-isoquinolyl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-(4-methylphenyl)-8-isoquinolinyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(p-tolyl)-8-isoquinolyl]methyl]adamantane-1-carboxamide Formula: C28H30N2O MolecularWeight: 410.5506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H30N2O/c1-18-2-4-22(5-3-18)24-7-6-23(26-17-29-9-8-25(24)26)16-30-27(31)28-13-19-10-20(14-28)12-21(11-19)15-28/h2-9,17,19-21H,10-16H2,1H3,(H,30,31)