2-[[1-(6,7-dimethoxyisoquinolin-1-yl)cyclohexyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-(6,7-dimethoxyisoquinolin-1-yl)cyclohexyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-(6,7-dimethoxy-1-isoquinolyl)cyclohexyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-(6,7-dimethoxy-1-isoquinolinyl)cyclohexyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(6,7-dimethoxyisoquinolin-1-yl)cyclohexyl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-(6,7-dimethoxy-1-isoquinolyl)cyclohexyl]methyl]isoindoline-1,3-quinone Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2C3(CCCCC3)CN4C(=O)C5=CC=CC=C5C4=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2C3(CCCCC3)CN4C(=O)C5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C26H26N2O4/c1-31-21-14-17-10-13-27-23(20(17)15-22(21)32-2)26(11-6-3-7-12-26)16-28-24(29)18-8-4-5-9-19(18)25(28)30/h4-5,8-10,13-15H,3,6-7,11-12,16H2,1-2H3