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

Systemtic Name: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3-(4-methylphenyl)urea Openeye Name: 1-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3-(p-tolyl)urea CAS Name: 1-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-(4-methylphenyl)urea Traditional Name: 1-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3-(p-tolyl)urea Formula: C28H29N3O5 MolecularWeight: 487.54696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2CC3=NC=CC4=CC(=C(C=C43)OC)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2CC3=NC=CC4=CC(=C(C=C43)OC)OC)OC)OC

InChI

InChI=1S/C28H29N3O5/c1-17-6-8-20(9-7-17)30-28(32)31-22-16-27(36-5)25(34-3)14-19(22)12-23-21-15-26(35-4)24(33-2)13-18(21)10-11-29-23/h6-11,13-16H,12H2,1-5H3,(H2,30,31,32)