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

Systemtic Name: tert-butyl 4-(2-chlorophenyl)-5-cyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2-carboxylate Openeye Name: tert-butyl 4-(2-chlorophenyl)-5-cyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2-carboxylate CAS Name: 4-(2-chlorophenyl)-5-cyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chlorophenyl)-5-cyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2-carboxylate Traditional Name: 4-(2-chlorophenyl)-5-cyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridine-2-carboxylic acid tert-butyl ester Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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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=CC=C3Cl)C#N

Isomeric SMILES

CCCC1=C(C(C2=CN(NC2=N1)C(=O)OC(C)(C)C)C3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C21H23ClN4O2/c1-5-8-17-14(11-23)18(13-9-6-7-10-16(13)22)15-12-26(25-19(15)24-17)20(27)28-21(2,3)4/h6-7,9-10,12,18H,5,8H2,1-4H3,(H,24,25)