5-(4-tert-butylphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5-(4-tert-butylphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]cyclohexane-1,3-dione Openeye Name: 5-(4-tert-butylphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]cyclohexane-1,3-dione CAS Name: 5-(4-tert-butylphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5-(4-tert-butylphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]cyclohexane-1,3-dione Traditional Name: 5-(4-tert-butylphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]cyclohexane-1,3-quinone Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C=NCCC3=CN=CN3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C=NCCC3=CN=CN3

InChI

InChI=1S/C22H27N3O2/c1-22(2,3)17-6-4-15(5-7-17)16-10-20(26)19(21(27)11-16)13-23-9-8-18-12-24-14-25-18/h4-7,12-14,16,19H,8-11H2,1-3H3,(H,24,25)