tert-butyl 4-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H26FN5O3 MolecularWeight: 451.493343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C(=NN2)C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C(=NN2)C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C24H26FN5O3/c1-24(2,3)33-23(32)30-14-12-29(13-15-30)22(31)21-19(16-8-10-26-11-9-16)20(27-28-21)17-4-6-18(25)7-5-17/h4-11H,12-15H2,1-3H3,(H,27,28)