4-(5,7-ditert-butyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(5,7-ditert-butyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(5,7-ditert-butyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-(5,7-ditert-butyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(5,7-ditert-butyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(5,7-ditert-butyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC2=C(C(=C3C=CC(=O)C=C3)NN12)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NC2=C(C(=C3C=CC(=O)C=C3)NN12)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C26H29N3O/c1-25(2,3)20-16-21(26(4,5)6)29-24(27-20)22(17-10-8-7-9-11-17)23(28-29)18-12-14-19(30)15-13-18/h7-16,28H,1-6H3