2-phenyl-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]ethanone

Systemtic Name: 2-phenyl-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]ethanone Openeye Name: 2-phenyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-piperidyl]ethanone CAS Name: 1-[3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-piperidinyl]-2-phenylethanone IUPAC Name: 2-phenyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone Traditional Name: 2-phenyl-1-[3-[4-(2-pyrimidyl)piperazine-1-carbonyl]piperidino]ethanone Formula: C22H27N5O2 MolecularWeight: 393.48208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC(CN(C1)C(=O)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N5O2/c28-20(16-18-6-2-1-3-7-18)27-11-4-8-19(17-27)21(29)25-12-14-26(15-13-25)22-23-9-5-10-24-22/h1-3,5-7,9-10,19H,4,8,11-17H2