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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-chloranyl-5-methyl-phenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-chloro-5-methyl-phenoxy)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-chloro-5-methylphenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-chloro-5-methylphenoxy)ethanone Traditional Name: 2-(2-chloro-5-methyl-phenoxy)-1-(4-piperonylpiperazino)ethanone Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c1-15-2-4-17(22)19(10-15)26-13-21(25)24-8-6-23(7-9-24)12-16-3-5-18-20(11-16)28-14-27-18/h2-5,10-11H,6-9,12-14H2,1H3