ethyl 4-(2-bromanyl-3-cyano-phenyl)-6-piperidin-4-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-(2-bromanyl-3-cyano-phenyl)-6-piperidin-4-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(2-bromo-3-cyano-phenyl)-6-(4-piperidyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(2-bromo-3-cyanophenyl)-6-(4-piperidinyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-3-cyanophenyl)-6-piperidin-4-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(2-bromo-3-cyano-phenyl)-6-(4-piperidyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(=CNN2)C1C3=CC=CC(=C3Br)C#N)C4CCNCC4

Isomeric SMILES

CCOC(=O)C1=C(N=C2C(=CNN2)C1C3=CC=CC(=C3Br)C#N)C4CCNCC4

InChI

InChI=1S/C21H22BrN5O2/c1-2-29-21(28)17-16(14-5-3-4-13(10-23)18(14)22)15-11-25-27-20(15)26-19(17)12-6-8-24-9-7-12/h3-5,11-12,16,24H,2,6-9H2,1H3,(H2,25,26,27)