(3S)-3-(4-tert-butylphenyl)-5-[2-(1H-imidazol-5-yl)ethylimino]cyclohexan-1-one

Systemtic Name: (3S)-3-(4-tert-butylphenyl)-5-[2-(1H-imidazol-5-yl)ethylimino]cyclohexan-1-one Openeye Name: (3S)-3-(4-tert-butylphenyl)-5-[2-(1H-imidazol-5-yl)ethylimino]cyclohexanone CAS Name: (3S)-3-(4-tert-butylphenyl)-5-[2-(1H-imidazol-5-yl)ethylimino]-1-cyclohexanone IUPAC Name: (3S)-3-(4-tert-butylphenyl)-5-[2-(1H-imidazol-5-yl)ethylimino]cyclohexan-1-one Traditional Name: (3S)-3-(4-tert-butylphenyl)-5-[2-(1H-imidazol-5-yl)ethylimino]cyclohexanone Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H]2CC(=NCCC3=CN=CN3)CC(=O)C2

InChI

InChI=1S/C21H27N3O/c1-21(2,3)17-6-4-15(5-7-17)16-10-19(12-20(25)11-16)23-9-8-18-13-22-14-24-18/h4-7,13-14,16H,8-12H2,1-3H3,(H,22,24)/t16-/m0/s1