1-cyclohexyl-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]urea

Systemtic Name: 1-cyclohexyl-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]urea Openeye Name: 1-cyclohexyl-3-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]urea CAS Name: 1-cyclohexyl-3-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]urea IUPAC Name: 1-cyclohexyl-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]urea Traditional Name: 1-cyclohexyl-3-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]urea Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)NC4CCCCC4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)NC4CCCCC4)OC)OC)OC

InChI

InChI=1S/C27H33N3O5/c1-32-23-13-17-10-11-28-22(20(17)15-25(23)34-3)12-18-14-24(33-2)26(35-4)16-21(18)30-27(31)29-19-8-6-5-7-9-19/h10-11,13-16,19H,5-9,12H2,1-4H3,(H2,29,30,31)