2-pentyl-1-(4-pyridin-2-ylpiperazin-1-yl)butane-1,3-dione

Systemtic Name: 2-pentyl-1-(4-pyridin-2-ylpiperazin-1-yl)butane-1,3-dione Openeye Name: 2-pentyl-1-[4-(2-pyridyl)piperazin-1-yl]butane-1,3-dione CAS Name: 2-pentyl-1-[4-(2-pyridinyl)-1-piperazinyl]butane-1,3-dione IUPAC Name: 2-pentyl-1-(4-pyridin-2-ylpiperazin-1-yl)butane-1,3-dione Traditional Name: 2-amyl-1-[4-(2-pyridyl)piperazino]butane-1,3-dione Formula: C18H27N3O2 MolecularWeight: 317.42588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)C)C(=O)N1CCN(CC1)C2=CC=CC=N2

Isomeric SMILES

CCCCCC(C(=O)C)C(=O)N1CCN(CC1)C2=CC=CC=N2

InChI

InChI=1S/C18H27N3O2/c1-3-4-5-8-16(15(2)22)18(23)21-13-11-20(12-14-21)17-9-6-7-10-19-17/h6-7,9-10,16H,3-5,8,11-14H2,1-2H3