3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carbonitrile

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carbonitrile Openeye Name: 3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carbonitrile CAS Name: 3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carbonitrile IUPAC Name: 3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carbonitrile Traditional Name: 5-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-1-(4-fluorophenyl)-3-pyrazoline-3-carbonitrile Formula: C24H26FN3O MolecularWeight: 391.481143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C=C(NN2C3=CC=C(C=C3)F)C#N)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C=C(NN2C3=CC=C(C=C3)F)C#N)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C24H26FN3O/c1-23(2,3)19-11-15(12-20(22(19)29)24(4,5)6)21-13-17(14-26)27-28(21)18-9-7-16(25)8-10-18/h7-13,27H,1-6H3