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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2,4-dimethylquinolin-3-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2,4-dimethyl-3-quinolyl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2,4-dimethyl-3-quinolinyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2,4-dimethylquinolin-3-yl)ethanone Traditional Name: 2-(2,4-dimethyl-3-quinolyl)-1-(4-piperonylpiperazino)ethanone Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O3/c1-17-20-5-3-4-6-22(20)26-18(2)21(17)14-25(29)28-11-9-27(10-12-28)15-19-7-8-23-24(13-19)31-16-30-23/h3-8,13H,9-12,14-16H2,1-2H3