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

Systemtic Name: 4-(2-bromanyl-3-cyano-phenyl)-6-(2-oxidanylidenecyclohexyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile Openeye Name: 4-(2-bromo-3-cyano-phenyl)-6-(2-oxocyclohexyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile CAS Name: 4-(2-bromo-3-cyanophenyl)-6-(2-oxocyclohexyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile IUPAC Name: 4-(2-bromo-3-cyanophenyl)-6-(2-oxocyclohexyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile Traditional Name: 4-(2-bromo-3-cyano-phenyl)-6-(2-ketocyclohexyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile Formula: C20H16BrN5O MolecularWeight: 422.27794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C2=C(C(C3=CNNC3=N2)C4=CC=CC(=C4Br)C#N)C#N

Isomeric SMILES

C1CCC(=O)C(C1)C2=C(C(C3=CNNC3=N2)C4=CC=CC(=C4Br)C#N)C#N

InChI

InChI=1S/C20H16BrN5O/c21-18-11(8-22)4-3-6-13(18)17-14(9-23)19(12-5-1-2-7-16(12)27)25-20-15(17)10-24-26-20/h3-4,6,10,12,17H,1-2,5,7H2,(H2,24,25,26)