2,6-ditert-butyl-4-(2,5-diphenyl-1H-pyrazol-3-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-(2,5-diphenyl-1H-pyrazol-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-(2,5-diphenyl-1H-pyrazol-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-(2,5-diphenyl-1H-pyrazol-3-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(2,5-diphenyl-1H-pyrazol-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-(2,5-diphenyl-3-pyrazolin-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C29H32N2O MolecularWeight: 424.57718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C=C(NN2C3=CC=CC=C3)C4=CC=CC=C4)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C=C(NN2C3=CC=CC=C3)C4=CC=CC=C4)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C29H32N2O/c1-28(2,3)23-17-21(18-24(27(23)32)29(4,5)6)26-19-25(20-13-9-7-10-14-20)30-31(26)22-15-11-8-12-16-22/h7-19,30H,1-6H3