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

Systemtic Name: tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]piperazine-1-carboxylate CAS Name: 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H26FN5O2 MolecularWeight: 423.483243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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