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

Systemtic Name: tert-butyl 4-[1-(4-fluorophenyl)-4-pyridin-4-yl-pyrazol-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-fluorophenyl)-4-(4-pyridyl)pyrazol-3-yl]piperazine-1-carboxylate CAS Name: 4-[1-(4-fluorophenyl)-4-pyridin-4-yl-3-pyrazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-3-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-fluorophenyl)-4-(4-pyridyl)pyrazol-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H26FN5O2 MolecularWeight: 423.483243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN5O2/c1-23(2,3)31-22(30)28-14-12-27(13-15-28)21-20(17-8-10-25-11-9-17)16-29(26-21)19-6-4-18(24)5-7-19/h4-11,16H,12-15H2,1-3H3