(3E)-5-azanyl-3-[1-cyano-2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-2-phenyl-1H-pyrazole-4-carbonitrile

Systemtic Name: (3E)-5-azanyl-3-[1-cyano-2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-2-phenyl-1H-pyrazole-4-carbonitrile Openeye Name: (3E)-5-amino-3-[1-cyano-2-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-2-phenyl-1H-pyrazole-4-carbonitrile CAS Name: (3E)-5-amino-3-[1-cyano-2-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-2-phenyl-1H-pyrazole-4-carbonitrile IUPAC Name: (3E)-5-amino-3-[1-cyano-2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-phenyl-1H-pyrazole-4-carbonitrile Traditional Name: (5E)-3-amino-5-[1-cyano-2-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1-phenyl-3-pyrazoline-4-carbonitrile Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC(=C/C(=C\2/C(=C(NN2C3=CC=CC=C3)N)C#N)/C#N)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C27H29N5O/c1-26(2,3)21-13-17(14-22(24(21)33)27(4,5)6)12-18(15-28)23-20(16-29)25(30)31-32(23)19-10-8-7-9-11-19/h7-14,31H,30H2,1-6H3/b23-18+