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

Systemtic Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(2-methyl-5-nitro-phenyl)urea Openeye Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(2-methyl-5-nitro-phenyl)urea CAS Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(2-methyl-5-nitrophenyl)urea IUPAC Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(2-methyl-5-nitrophenyl)urea Traditional Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(2-methyl-5-nitro-phenyl)urea Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC=C(C=C2)CC3=NCCC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC=C(C=C2)CC3=NCCC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C26H26N4O5/c1-16-4-9-20(30(32)33)14-22(16)29-26(31)28-19-7-5-17(6-8-19)12-23-21-15-25(35-3)24(34-2)13-18(21)10-11-27-23/h4-9,13-15H,10-12H2,1-3H3,(H2,28,29,31)