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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-chloranylphenoxy)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-chlorophenoxy)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one Traditional Name: 2-(3-chlorophenoxy)-1-(4-piperonylpiperazino)propan-1-one Formula: C21H23ClN2O4 MolecularWeight: 402.87132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC(=CC=C4)Cl

InChI

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