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

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)octan-1-one Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)octan-1-one CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-octanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)octan-1-one Traditional Name: 1-[4-(2-pyrimidyl)piperazino]octan-1-one Formula: C16H26N4O MolecularWeight: 290.40384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O/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