N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]adamantane-1-carboxamide Openeye Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]adamantane-1-carboxamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]adamantane-1-carboxamide Traditional Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]adamantane-1-carboxamide Formula: C31H36N2O5 MolecularWeight: 516.62794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C45CC6CC(C4)CC(C6)C5)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C45CC6CC(C4)CC(C6)C5)OC)OC)OC

InChI

InChI=1S/C31H36N2O5/c1-35-26-11-21-5-6-32-25(23(21)13-28(26)37-3)10-22-12-27(36-2)29(38-4)14-24(22)33-30(34)31-15-18-7-19(16-31)9-20(8-18)17-31/h5-6,11-14,18-20H,7-10,15-17H2,1-4H3,(H,33,34)