1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2,6-dimethylphenoxy)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2,6-dimethylphenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2,6-dimethylphenoxy)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2,6-dimethylphenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2,6-dimethylphenoxy)ethanone Traditional Name: 2-(2,6-dimethylphenoxy)-1-(4-piperonylpiperazino)ethanone Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O4/c1-16-4-3-5-17(2)22(16)26-14-21(25)24-10-8-23(9-11-24)13-18-6-7-19-20(12-18)28-15-27-19/h3-7,12H,8-11,13-15H2,1-2H3