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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-chlorophenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-chlorophenyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(2-chlorophenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-chlorophenyl)propan-1-one Traditional Name: 3-(2-chlorophenyl)-1-(4-piperonylpiperazino)propan-1-one Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H23ClN2O3/c22-18-4-2-1-3-17(18)6-8-21(25)24-11-9-23(10-12-24)14-16-5-7-19-20(13-16)27-15-26-19/h1-5,7,13H,6,8-12,14-15H2