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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzylpiperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4-benzylpiperazino)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-29-22-14-20-8-9-27(17-21(20)15-23(22)30-2)24(28)18-26-12-10-25(11-13-26)16-19-6-4-3-5-7-19/h3-7,14-15H,8-13,16-18H2,1-2H3