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

Systemtic Name: 2,6-ditert-butyl-4-[1-(pyridin-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[1-(3-pyridylmethyl)-2H-pyrazolo[3,4-b]pyridin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[1-(3-pyridinylmethyl)-2H-pyrazolo[3,4-b]pyridin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[1-(pyridin-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[1-(3-pyridylmethyl)-2H-pyrazolo[3,4-b]pyridin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H30N4O/c1-25(2,3)20-13-18(14-21(23(20)31)26(4,5)6)22-19-10-8-12-28-24(19)30(29-22)16-17-9-7-11-27-15-17/h7-15,29H,16H2,1-6H3