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

Systemtic Name: 2-bromanyl-3-(5-isocyano-6-piperidin-2-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzenecarbonitrile Openeye Name: 2-bromo-3-[5-isocyano-6-(2-piperidyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile CAS Name: 2-bromo-3-[5-isocyano-6-(2-piperidinyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile IUPAC Name: 2-bromo-3-(5-isocyano-6-piperidin-2-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile Traditional Name: 2-bromo-3-[5-isocyano-6-(2-piperidyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile Formula: C19H17BrN6 MolecularWeight: 409.28248

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(N=C2C(=CNN2)C1C3=CC=CC(=C3Br)C#N)C4CCCCN4

Isomeric SMILES

[C-]#[N+]C1=C(N=C2C(=CNN2)C1C3=CC=CC(=C3Br)C#N)C4CCCCN4

InChI

InChI=1S/C19H17BrN6/c1-22-18-15(12-6-4-5-11(9-21)16(12)20)13-10-24-26-19(13)25-17(18)14-7-2-3-8-23-14/h4-6,10,14-15,23H,2-3,7-8H2,(H2,24,25,26)