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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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