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

Systemtic Name: 4-(2-bromanyl-3-cyano-phenyl)-6-(1-methyl-2-oxidanylidene-piperidin-4-yl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile Openeye Name: 4-(2-bromo-3-cyano-phenyl)-6-(1-methyl-2-oxo-4-piperidyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile CAS Name: 4-(2-bromo-3-cyanophenyl)-6-(1-methyl-2-oxo-4-piperidinyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile IUPAC Name: 4-(2-bromo-3-cyanophenyl)-6-(1-methyl-2-oxopiperidin-4-yl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile Traditional Name: 4-(2-bromo-3-cyano-phenyl)-6-(2-keto-1-methyl-4-piperidyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile Formula: C20H17BrN6O MolecularWeight: 437.29258

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1=O)C2=C(C(C3=CNNC3=N2)C4=CC=CC(=C4Br)C#N)C#N

Isomeric SMILES

CN1CCC(CC1=O)C2=C(C(C3=CNNC3=N2)C4=CC=CC(=C4Br)C#N)C#N

InChI

InChI=1S/C20H17BrN6O/c1-27-6-5-11(7-16(27)28)19-14(9-23)17(15-10-24-26-20(15)25-19)13-4-2-3-12(8-22)18(13)21/h2-4,10-11,17H,5-7H2,1H3,(H2,24,25,26)