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

Systemtic Name: (3S)-3-(3,4-dimethoxyphenyl)-5-[2-(1H-imidazol-5-yl)ethylimino]cyclohexan-1-one Openeye Name: (3S)-3-(3,4-dimethoxyphenyl)-5-[2-(1H-imidazol-5-yl)ethylimino]cyclohexanone CAS Name: (3S)-3-(3,4-dimethoxyphenyl)-5-[2-(1H-imidazol-5-yl)ethylimino]-1-cyclohexanone IUPAC Name: (3S)-3-(3,4-dimethoxyphenyl)-5-[2-(1H-imidazol-5-yl)ethylimino]cyclohexan-1-one Traditional Name: (3S)-3-(3,4-dimethoxyphenyl)-5-[2-(1H-imidazol-5-yl)ethylimino]cyclohexanone Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NCCC3=CN=CN3)CC(=O)C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=NCCC3=CN=CN3)CC(=O)C2)OC

InChI

InChI=1S/C19H23N3O3/c1-24-18-4-3-13(9-19(18)25-2)14-7-16(10-17(23)8-14)21-6-5-15-11-20-12-22-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,20,22)/t14-/m0/s1