tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(oxidanylidenemethylidene)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(oxidanylidenemethylidene)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-2-(oxomethylene)piperazine-1-carboxylate CAS Name: 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(oxomethylidene)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(oxomethylidene)piperazine-1-carboxylate Traditional Name: 4-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-2-(ketomethylene)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H24FN5O3 MolecularWeight: 449.477463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24FN5O3/c1-24(2,3)33-23(32)30-13-12-29(14-19(30)15-31)22-20(16-8-10-26-11-9-16)21(27-28-22)17-4-6-18(25)7-5-17/h4-11H,12-14H2,1-3H3,(H,27,28)