tert-butyl 2-[4-(2-bromanyl-3-cyano-phenyl)-5-cyano-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(2-bromanyl-3-cyano-phenyl)-5-cyano-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-(2-bromo-3-cyano-phenyl)-5-cyano-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidine-1-carboxylate CAS Name: 2-[4-(2-bromo-3-cyanophenyl)-5-cyano-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(2-bromo-3-cyanophenyl)-5-cyano-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-(2-bromo-3-cyano-phenyl)-5-cyano-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H23BrN6O2 MolecularWeight: 495.37172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C2=C(C(C3=CNNC3=N2)C4=CC=CC(=C4Br)C#N)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C2=C(C(C3=CNNC3=N2)C4=CC=CC(=C4Br)C#N)C#N

InChI

InChI=1S/C23H23BrN6O2/c1-23(2,3)32-22(31)30-9-5-8-17(30)20-15(11-26)18(16-12-27-29-21(16)28-20)14-7-4-6-13(10-25)19(14)24/h4,6-7,12,17-18H,5,8-9H2,1-3H3,(H2,27,28,29)