1-(4-pyrimidin-2-ylpiperazin-1-yl)octan-1-one hydrochloride

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)octan-1-one hydrochloride Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)octan-1-one hydrochloride CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-octanone hydrochloride IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)octan-1-one hydrochloride Traditional Name: 1-[4-(2-pyrimidyl)piperazino]octan-1-one hydrochloride Formula: C16H27ClN4O MolecularWeight: 326.86478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=NC=CC=N2.Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=NC=CC=N2.Cl

InChI

InChI=1S/C16H26N4O.ClH/c1-2-3-4-5-6-8-15(21)19-11-13-20(14-12-19)16-17-9-7-10-18-16;/h7,9-10H,2-6,8,11-14H2,1H3;1H