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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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