tert-butyl 4-[[5-(4-fluorophenyl)-4-oxidanyl-4-pyridin-4-yl-1,5-dihydropyrazol-3-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-(4-fluorophenyl)-4-oxidanyl-4-pyridin-4-yl-1,5-dihydropyrazol-3-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(4-fluorophenyl)-4-hydroxy-4-(4-pyridyl)-1,5-dihydropyrazol-3-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[5-(4-fluorophenyl)-4-hydroxy-4-pyridin-4-yl-1,5-dihydropyrazol-3-yl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(4-fluorophenyl)-4-hydroxy-4-pyridin-4-yl-1,5-dihydropyrazol-3-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-fluorophenyl)-4-hydroxy-4-(4-pyridyl)-2-pyrazolin-3-yl]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H31FN4O3 MolecularWeight: 454.537043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC2=NNC(C2(C3=CC=NC=C3)O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC2=NNC(C2(C3=CC=NC=C3)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H31FN4O3/c1-24(2,3)33-23(31)30-14-10-17(11-15-30)16-21-25(32,19-8-12-27-13-9-19)22(29-28-21)18-4-6-20(26)7-5-18/h4-9,12-13,17,22,29,32H,10-11,14-16H2,1-3H3