tert-butyl 4-[5-(4-chlorophenyl)-4-(2-fluoranylpyridin-4-yl)-1H-pyrazol-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(4-chlorophenyl)-4-(2-fluoranylpyridin-4-yl)-1H-pyrazol-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(4-chlorophenyl)-4-(2-fluoro-4-pyridyl)-1H-pyrazol-3-yl]piperazine-1-carboxylate CAS Name: 4-[5-(4-chlorophenyl)-4-(2-fluoro-4-pyridinyl)-1H-pyrazol-3-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(4-chlorophenyl)-4-(2-fluoropyridin-4-yl)-1H-pyrazol-3-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(4-chlorophenyl)-4-(2-fluoro-4-pyridyl)-1H-pyrazol-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H25ClFN5O2 MolecularWeight: 457.928303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClFN5O2/c1-23(2,3)32-22(31)30-12-10-29(11-13-30)21-19(16-8-9-26-18(25)14-16)20(27-28-21)15-4-6-17(24)7-5-15/h4-9,14H,10-13H2,1-3H3,(H,27,28)