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

Systemtic Name: 2-bromanyl-3-(5-isocyano-6-piperidin-3-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzenecarbonitrile Openeye Name: 2-bromo-3-[5-isocyano-6-(3-piperidyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile CAS Name: 2-bromo-3-[5-isocyano-6-(3-piperidinyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile IUPAC Name: 2-bromo-3-(5-isocyano-6-piperidin-3-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile Traditional Name: 2-bromo-3-[5-isocyano-6-(3-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)C4CCCNC4

Isomeric SMILES

[C-]#[N+]C1=C(N=C2C(=CNN2)C1C3=CC=CC(=C3Br)C#N)C4CCCNC4

InChI

InChI=1S/C19H17BrN6/c1-22-18-15(13-6-2-4-11(8-21)16(13)20)14-10-24-26-19(14)25-17(18)12-5-3-7-23-9-12/h2,4,6,10,12,15,23H,3,5,7,9H2,(H2,24,25,26)