tert-butyl 6-[1-(2-fluoranylpyridin-3-yl)-5-methyl-1,2,3-triazol-4-yl]-3-oxidanylidene-1H-isoindole-2-carboxylate

Systemtic Name: tert-butyl 6-[1-(2-fluoranylpyridin-3-yl)-5-methyl-1,2,3-triazol-4-yl]-3-oxidanylidene-1H-isoindole-2-carboxylate Openeye Name: tert-butyl 5-[1-(2-fluoro-3-pyridyl)-5-methyl-triazol-4-yl]-1-oxo-isoindoline-2-carboxylate CAS Name: 6-[1-(2-fluoro-3-pyridinyl)-5-methyl-4-triazolyl]-3-oxo-1H-isoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-3-oxo-1H-isoindole-2-carboxylate Traditional Name: 5-[1-(2-fluoro-3-pyridyl)-5-methyl-triazol-4-yl]-1-keto-isoindoline-2-carboxylic acid tert-butyl ester Formula: C21H20FN5O3 MolecularWeight: 409.413603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CC4=C(C=C3)C(=O)N(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CC4=C(C=C3)C(=O)N(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H20FN5O3/c1-12-17(24-25-27(12)16-6-5-9-23-18(16)22)13-7-8-15-14(10-13)11-26(19(15)28)20(29)30-21(2,3)4/h5-10H,11H2,1-4H3