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

Systemtic Name: tert-butyl 3-[4-(2-bromanyl-3-cyano-phenyl)-5-cyano-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-(2-bromo-3-cyano-phenyl)-5-cyano-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]piperidine-1-carboxylate CAS Name: 3-[4-(2-bromo-3-cyanophenyl)-5-cyano-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(2-bromo-3-cyanophenyl)-5-cyano-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]piperidine-1-carboxylate Traditional Name: 3-[4-(2-bromo-3-cyano-phenyl)-5-cyano-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H25BrN6O2 MolecularWeight: 509.3983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=C(C(C3=CNNC3=N2)C4=CC=CC(=C4Br)C#N)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=C(C(C3=CNNC3=N2)C4=CC=CC(=C4Br)C#N)C#N

InChI

InChI=1S/C24H25BrN6O2/c1-24(2,3)33-23(32)31-9-5-7-15(13-31)21-17(11-27)19(18-12-28-30-22(18)29-21)16-8-4-6-14(10-26)20(16)25/h4,6,8,12,15,19H,5,7,9,13H2,1-3H3,(H2,28,29,30)