1-[4-[3-(3-chloranyl-2-fluoranyl-phenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone

Systemtic Name: 1-[4-[3-(3-chloranyl-2-fluoranyl-phenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[3-(3-chloro-2-fluoro-phenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-ethanone CAS Name: 1-[4-[3-(3-chloro-2-fluorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxyethanone IUPAC Name: 1-[4-[3-(3-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone Traditional Name: 1-[4-[3-(3-chloro-2-fluoro-phenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-hydroxy-ethanone Formula: C20H19ClFN5O2 MolecularWeight: 415.848563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C(=NN2)C3=C(C(=CC=C3)Cl)F)C4=NC=NC=C4)C(=O)CO

Isomeric SMILES

C1CN(CCC1C2=C(C(=NN2)C3=C(C(=CC=C3)Cl)F)C4=NC=NC=C4)C(=O)CO

InChI

InChI=1S/C20H19ClFN5O2/c21-14-3-1-2-13(18(14)22)20-17(15-4-7-23-11-24-15)19(25-26-20)12-5-8-27(9-6-12)16(29)10-28/h1-4,7,11-12,28H,5-6,8-10H2,(H,25,26)