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

Systemtic Name: 2-bromanyl-3-[5-isocyano-6-(4-methylmorpholin-2-yl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzenecarbonitrile Openeye Name: 2-bromo-3-[5-isocyano-6-(4-methylmorpholin-2-yl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile CAS Name: 2-bromo-3-[5-isocyano-6-(4-methyl-2-morpholinyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile IUPAC Name: 2-bromo-3-[5-isocyano-6-(4-methylmorpholin-2-yl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile Traditional Name: 2-bromo-3-[5-isocyano-6-(4-methylmorpholin-2-yl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile Formula: C19H17BrN6O MolecularWeight: 425.28188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC(C1)C2=C(C(C3=CNNC3=N2)C4=CC=CC(=C4Br)C#N)[N+]#[C-]

Isomeric SMILES

CN1CCOC(C1)C2=C(C(C3=CNNC3=N2)C4=CC=CC(=C4Br)C#N)[N+]#[C-]

InChI

InChI=1S/C19H17BrN6O/c1-22-18-15(12-5-3-4-11(8-21)16(12)20)13-9-23-25-19(13)24-17(18)14-10-26(2)6-7-27-14/h3-5,9,14-15H,6-7,10H2,2H3,(H2,23,24,25)