tert-butyl 4-[[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-[[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 4-[[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]amino]-4-keto-butyric acid tert-butyl ester Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(=O)NC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)CCC(=O)NC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN4O3/c1-22(2,3)30-18(29)9-8-17(28)25-21-19(14-10-12-24-13-11-14)20(26-27-21)15-4-6-16(23)7-5-15/h4-7,10-13H,8-9H2,1-3H3,(H2,25,26,27,28)