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

Systemtic Name: 1-[4-[3-(5-chloranyl-2-fluoranyl-phenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-propan-1-one Openeye Name: 1-[4-[3-(5-chloro-2-fluoro-phenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-propan-1-one CAS Name: 1-[4-[3-(5-chloro-2-fluorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxy-1-propanone IUPAC Name: 1-[4-[3-(5-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one Traditional Name: 1-[4-[3-(5-chloro-2-fluoro-phenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-hydroxy-propan-1-one Formula: C21H21ClFN5O2 MolecularWeight: 429.875143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C2=C(C(=NN2)C3=C(C=CC(=C3)Cl)F)C4=NC=NC=C4)O

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C2=C(C(=NN2)C3=C(C=CC(=C3)Cl)F)C4=NC=NC=C4)O

InChI

InChI=1S/C21H21ClFN5O2/c1-12(29)21(30)28-8-5-13(6-9-28)19-18(17-4-7-24-11-25-17)20(27-26-19)15-10-14(22)2-3-16(15)23/h2-4,7,10-13,29H,5-6,8-9H2,1H3,(H,26,27)