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

Systemtic Name: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[4-[(4-bromophenyl)methyl]-1-piperazinyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[4-(4-bromobenzyl)piperazino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C24H30BrN3O3 MolecularWeight: 488.4173

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)CC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)CC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C24H30BrN3O3/c1-30-22-13-19-7-8-28(16-20(19)14-23(22)31-2)24(29)17-27-11-9-26(10-12-27)15-18-3-5-21(25)6-4-18/h3-6,13-14H,7-12,15-17H2,1-2H3