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

Systemtic Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(3-iodanylphenyl)urea Openeye Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(3-iodophenyl)urea CAS Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(3-iodophenyl)urea IUPAC Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(3-iodophenyl)urea Traditional Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(3-iodophenyl)urea Formula: C25H24IN3O3 MolecularWeight: 541.38083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)I)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)I)OC

InChI

InChI=1S/C25H24IN3O3/c1-31-23-13-17-10-11-27-22(21(17)15-24(23)32-2)12-16-6-8-19(9-7-16)28-25(30)29-20-5-3-4-18(26)14-20/h3-9,13-15H,10-12H2,1-2H3,(H2,28,29,30)