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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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