N-[[5-(3,4-dimethoxyphenyl)isoquinolin-8-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)isoquinolin-8-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolyl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolinyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-(3,4-dimethoxyphenyl)isoquinolin-8-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolyl]methyl]adamantane-1-carboxamide Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C29H32N2O3/c1-33-26-6-4-21(12-27(26)34-2)23-5-3-22(25-17-30-8-7-24(23)25)16-31-28(32)29-13-18-9-19(14-29)11-20(10-18)15-29/h3-8,12,17-20H,9-11,13-16H2,1-2H3,(H,31,32)