2,6-ditert-butyl-4-(1-hexanoyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-(1-hexanoyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-(1-hexanoyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[1-(1-oxohexyl)-2H-pyrazolo[3,4-b]pyridin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(1-hexanoyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-(1-caproyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C2=C(C=CC=N2)C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)N1

Isomeric SMILES

CCCCCC(=O)N1C2=C(C=CC=N2)C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)N1

InChI

InChI=1S/C26H35N3O2/c1-8-9-10-13-21(30)29-24-18(12-11-14-27-24)22(28-29)17-15-19(25(2,3)4)23(31)20(16-17)26(5,6)7/h11-12,14-16,28H,8-10,13H2,1-7H3