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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 2-(4-methoxyphenyl)-1-(4-piperonylpiperazino)ethanone Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O4/c1-25-18-5-2-16(3-6-18)13-21(24)23-10-8-22(9-11-23)14-17-4-7-19-20(12-17)27-15-26-19/h2-7,12H,8-11,13-15H2,1H3