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

Systemtic Name: 2,6-ditert-butyl-4-[1-(phenylmethyl)-2H-pyrazolo[3,4-b]pyridin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-(1-benzyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[1-(phenylmethyl)-2H-pyrazolo[3,4-b]pyridin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(1-benzyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-(1-benzyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C3=C(N=CC=C3)N(N2)CC4=CC=CC=C4)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C3=C(N=CC=C3)N(N2)CC4=CC=CC=C4)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C27H31N3O/c1-26(2,3)21-15-19(16-22(24(21)31)27(4,5)6)23-20-13-10-14-28-25(20)30(29-23)17-18-11-8-7-9-12-18/h7-16,29H,17H2,1-6H3