(5Z)-3-azanyl-5-[1-cyano-2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1,2-dihydropyrazole-4-carbonitrile

Systemtic Name: (5Z)-3-azanyl-5-[1-cyano-2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1,2-dihydropyrazole-4-carbonitrile Openeye Name: (5Z)-3-amino-5-[1-cyano-2-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1,2-dihydropyrazole-4-carbonitrile CAS Name: (5Z)-3-amino-5-[1-cyano-2-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-1,2-dihydropyrazole-4-carbonitrile IUPAC Name: (5Z)-3-amino-5-[1-cyano-2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1,2-dihydropyrazole-4-carbonitrile Traditional Name: (5Z)-3-amino-5-[1-cyano-2-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)ethylidene]-3-pyrazoline-4-carbonitrile Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C2C(=C(NN2)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(NN2)N)C#N)/C#N)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C21H25N5O/c1-20(2,3)15-8-12(9-16(18(15)27)21(4,5)6)7-13(10-22)17-14(11-23)19(24)26-25-17/h7-9,25-26H,24H2,1-6H3/b17-13-