2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[4-(5-bromo-2-pyridyl)piperazino]ethanone Formula: C22H28BrN5O MolecularWeight: 458.39462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3CCN(CC3)C4=NC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3CCN(CC3)C4=NC=C(C=C4)Br

InChI

InChI=1S/C22H28BrN5O/c23-20-6-7-21(24-16-20)27-12-8-26(9-13-27)18-22(29)28-14-10-25(11-15-28)17-19-4-2-1-3-5-19/h1-7,16H,8-15,17-18H2