3-(3-bromophenyl)-5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3-bromophenyl)-5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(3-bromophenyl)-5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(3-bromophenyl)-5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-bromophenyl)-5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(3-bromophenyl)-5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,4-oxadiazole Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC3=NC(=NO3)C4=CC(=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC3=NC(=NO3)C4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C20H20BrN3O3/c1-25-17-9-13-6-7-24(11-15(13)10-18(17)26-2)12-19-22-20(23-27-19)14-4-3-5-16(21)8-14/h3-5,8-10H,6-7,11-12H2,1-2H3