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

Systemtic Name: 1-(4-bromophenyl)-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]urea Openeye Name: 1-(4-bromophenyl)-3-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]urea CAS Name: 1-(4-bromophenyl)-3-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]urea IUPAC Name: 1-(4-bromophenyl)-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]urea Traditional Name: 1-(4-bromophenyl)-3-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]urea Formula: C27H26BrN3O5 MolecularWeight: 552.41644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)NC4=CC=C(C=C4)Br)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)NC4=CC=C(C=C4)Br)OC)OC)OC

InChI

InChI=1S/C27H26BrN3O5/c1-33-23-12-16-9-10-29-22(20(16)14-25(23)35-3)11-17-13-24(34-2)26(36-4)15-21(17)31-27(32)30-19-7-5-18(28)6-8-19/h5-10,12-15H,11H2,1-4H3,(H2,30,31,32)