tert-butyl 4-(2,1,3-benzoxadiazol-4-yl)-5-cyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2-carboxylate

Systemtic Name: tert-butyl 4-(2,1,3-benzoxadiazol-4-yl)-5-cyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2-carboxylate Openeye Name: tert-butyl 4-(2,1,3-benzoxadiazol-4-yl)-5-cyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2-carboxylate CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-5-cyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,1,3-benzoxadiazol-4-yl)-5-cyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2-carboxylate Traditional Name: 4-benzofurazan-4-yl-5-cyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2-carboxylic acid tert-butyl ester Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2=CN(NC2=N1)C(=O)OC(C)(C)C)C3=CC=CC4=NON=C43)C#N

Isomeric SMILES

CCCC1=C(C(C2=CN(NC2=N1)C(=O)OC(C)(C)C)C3=CC=CC4=NON=C43)C#N

InChI

InChI=1S/C21H22N6O3/c1-5-7-15-13(10-22)17(12-8-6-9-16-18(12)26-30-25-16)14-11-27(24-19(14)23-15)20(28)29-21(2,3)4/h6,8-9,11,17H,5,7H2,1-4H3,(H,23,24)