1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-pyridyl)piperazino]ethanone Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)C4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)C4=CC=CC=N4)OC

InChI

InChI=1S/C22H28N4O3/c1-28-19-13-17-6-8-26(15-18(17)14-20(19)29-2)22(27)16-24-9-11-25(12-10-24)21-5-3-4-7-23-21/h3-5,7,13-14H,6,8-12,15-16H2,1-2H3