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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromanylphenoxy)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromophenoxy)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-bromophenoxy)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromophenoxy)propan-1-one Traditional Name: 2-(4-bromophenoxy)-1-(4-piperonylpiperazino)propan-1-one Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O4/c1-15(28-18-5-3-17(22)4-6-18)21(25)24-10-8-23(9-11-24)13-16-2-7-19-20(12-16)27-14-26-19/h2-7,12,15H,8-11,13-14H2,1H3