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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-chlorophenyl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-chlorophenyl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(4-chlorophenyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-chlorophenyl)ethanone Traditional Name: 1-(4-chlorophenyl)-2-(4-piperonylpiperazino)ethanone Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN2O3/c21-17-4-2-16(3-5-17)18(24)13-23-9-7-22(8-10-23)12-15-1-6-19-20(11-15)26-14-25-19/h1-6,11H,7-10,12-14H2