3-[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2H-pyrazolo[3,4-b]pyridin-1-yl]propanenitrile

Systemtic Name: 3-[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2H-pyrazolo[3,4-b]pyridin-1-yl]propanenitrile Openeye Name: 3-[3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2H-pyrazolo[3,4-b]pyridin-1-yl]propanenitrile CAS Name: 3-[3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2H-pyrazolo[3,4-b]pyridin-1-yl]propanenitrile IUPAC Name: 3-[3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2H-pyrazolo[3,4-b]pyridin-1-yl]propanenitrile Traditional Name: 3-[3-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-2H-pyrazolo[3,4-b]pyridin-1-yl]propionitrile Formula: C23H28N4O MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C3=C(N=CC=C3)N(N2)CCC#N)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C3=C(N=CC=C3)N(N2)CCC#N)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C23H28N4O/c1-22(2,3)17-13-15(14-18(20(17)28)23(4,5)6)19-16-9-7-11-25-21(16)27(26-19)12-8-10-24/h7,9,11,13-14,26H,8,12H2,1-6H3