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

Systemtic Name: 1-cyclohexyl-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea Openeye Name: 1-cyclohexyl-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea CAS Name: 1-cyclohexyl-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea IUPAC Name: 1-cyclohexyl-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea Traditional Name: 1-cyclohexyl-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4CCCCC4)OC

InChI

InChI=1S/C25H31N3O3/c1-30-23-15-18-12-13-26-22(21(18)16-24(23)31-2)14-17-8-10-20(11-9-17)28-25(29)27-19-6-4-3-5-7-19/h8-11,15-16,19H,3-7,12-14H2,1-2H3,(H2,27,28,29)