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

Systemtic Name: tert-butyl 4-[5-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperazine-1-carboxylate CAS Name: 4-[5-(4-fluorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-3-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(4-fluorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H25FN6O2 MolecularWeight: 424.471303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN6O2/c1-22(2,3)31-21(30)29-12-10-28(11-13-29)20-18(17-8-9-24-14-25-17)19(26-27-20)15-4-6-16(23)7-5-15/h4-9,14H,10-13H2,1-3H3,(H,26,27)