2-(4-bromanyl-3-methyl-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-3-methyl-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4-bromo-3-methyl-phenoxy)ethanone CAS Name: 2-(4-bromo-3-methylphenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-bromo-3-methylphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(4-bromo-3-methyl-phenoxy)ethanone Formula: C20H23BrN2O2 MolecularWeight: 403.31282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O2/c1-16-13-18(7-8-19(16)21)25-15-20(24)23-11-9-22(10-12-23)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3