2-bromanyl-3-[5-isocyano-6-(2-oxidanylidenecyclohexyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzenecarbonitrile

Systemtic Name: 2-bromanyl-3-[5-isocyano-6-(2-oxidanylidenecyclohexyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzenecarbonitrile Openeye Name: 2-bromo-3-[5-isocyano-6-(2-oxocyclohexyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile CAS Name: 2-bromo-3-[5-isocyano-6-(2-oxocyclohexyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile IUPAC Name: 2-bromo-3-[5-isocyano-6-(2-oxocyclohexyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile Traditional Name: 2-bromo-3-[5-isocyano-6-(2-ketocyclohexyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile Formula: C20H16BrN5O MolecularWeight: 422.27794

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(N=C2C(=CNN2)C1C3=CC=CC(=C3Br)C#N)C4CCCCC4=O

Isomeric SMILES

[C-]#[N+]C1=C(N=C2C(=CNN2)C1C3=CC=CC(=C3Br)C#N)C4CCCCC4=O

InChI

InChI=1S/C20H16BrN5O/c1-23-19-16(13-7-4-5-11(9-22)17(13)21)14-10-24-26-20(14)25-18(19)12-6-2-3-8-15(12)27/h4-5,7,10,12,16H,2-3,6,8H2,(H2,24,25,26)