1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-piperonylpiperazino)ethanone Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N3O3/c27-23(16-25-8-7-19-3-1-2-4-20(19)15-25)26-11-9-24(10-12-26)14-18-5-6-21-22(13-18)29-17-28-21/h1-6,13H,7-12,14-17H2