tert-butyl 3-[6-(2-phenylmethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[6-(2-phenylmethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[6-(2-benzyloxyphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylate CAS Name: 3-[6-(2-phenylmethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-(2-phenylmethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[6-(2-benzoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC3=C2C=NN3)C4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC3=C2C=NN3)C4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C29H32N4O3/c1-29(2,3)36-28(34)33-15-9-12-21(18-33)23-16-25(31-27-24(23)17-30-32-27)22-13-7-8-14-26(22)35-19-20-10-5-4-6-11-20/h4-8,10-11,13-14,16-17,21H,9,12,15,18-19H2,1-3H3,(H,30,31,32)