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

Systemtic Name: 1-tert-butyl-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]urea Openeye Name: 1-tert-butyl-3-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]urea CAS Name: 1-tert-butyl-3-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]urea IUPAC Name: 1-tert-butyl-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]urea Traditional Name: 1-tert-butyl-3-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]urea Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC

InChI

InChI=1S/C25H31N3O5/c1-25(2,3)28-24(29)27-18-14-23(33-7)21(31-5)12-16(18)10-19-17-13-22(32-6)20(30-4)11-15(17)8-9-26-19/h8-9,11-14H,10H2,1-7H3,(H2,27,28,29)