tert-butyl 4-[5-(4-fluorophenyl)-4-oxidanyl-4-pyridin-4-yl-1,5-dihydropyrazol-3-yl]-2-methyl-piperidine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1C(=O)OC(C)(C)C)C2=NNC(C2(C3=CC=NC=C3)O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1CC(CCN1C(=O)OC(C)(C)C)C2=NNC(C2(C3=CC=NC=C3)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H31FN4O3/c1-16-15-18(11-14-30(16)23(31)33-24(2,3)4)22-25(32,19-9-12-27-13-10-19)21(28-29-22)17-5-7-20(26)8-6-17/h5-10,12-13,16,18,21,28,32H,11,14-15H2,1-4H3