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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=C(C=C4)Cl

InChI

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