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

Systemtic Name: 2,6-ditert-butyl-4-(1-octyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-(1-octyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-(1-octyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(1-octyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-(1-octyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C28H41N3O MolecularWeight: 435.64464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=CC=N2)C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)N1

Isomeric SMILES

CCCCCCCCN1C2=C(C=CC=N2)C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)N1

InChI

InChI=1S/C28H41N3O/c1-8-9-10-11-12-13-17-31-26-21(15-14-16-29-26)24(30-31)20-18-22(27(2,3)4)25(32)23(19-20)28(5,6)7/h14-16,18-19,30H,8-13,17H2,1-7H3