2-[(1,3-dimethyl-6-oxidanylidene-4-phenyl-pyrazolo[3,4-b]pyridin-7-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(1,3-dimethyl-6-oxidanylidene-4-phenyl-pyrazolo[3,4-b]pyridin-7-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(1,3-dimethyl-6-oxo-4-phenyl-pyrazolo[3,4-b]pyridin-7-yl)methyl]benzonitrile CAS Name: 2-[(1,3-dimethyl-6-oxo-4-phenyl-7-pyrazolo[3,4-b]pyridinyl)methyl]benzonitrile IUPAC Name: 2-[(1,3-dimethyl-6-oxo-4-phenylpyrazolo[3,4-b]pyridin-7-yl)methyl]benzonitrile Traditional Name: 2-[(6-keto-1,3-dimethyl-4-phenyl-pyrazolo[3,4-b]pyridin-7-yl)methyl]benzonitrile Formula: C22H18N4O MolecularWeight: 354.40452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=O)N2CC3=CC=CC=C3C#N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=O)N2CC3=CC=CC=C3C#N)C4=CC=CC=C4)C

InChI

InChI=1S/C22H18N4O/c1-15-21-19(16-8-4-3-5-9-16)12-20(27)26(22(21)25(2)24-15)14-18-11-7-6-10-17(18)13-23/h3-12H,14H2,1-2H3