5-(3,4-dimethoxyphenyl)-2-[[2-(1H-imidazol-5-yl)ethylamino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-[[2-(1H-imidazol-5-yl)ethylamino]methylidene]cyclohexane-1,3-dione Openeye Name: 5-(3,4-dimethoxyphenyl)-2-[[2-(1H-imidazol-5-yl)ethylamino]methylene]cyclohexane-1,3-dione CAS Name: 5-(3,4-dimethoxyphenyl)-2-[[2-(1H-imidazol-5-yl)ethylamino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-[[2-(1H-imidazol-5-yl)ethylamino]methylidene]cyclohexane-1,3-dione Traditional Name: 5-(3,4-dimethoxyphenyl)-2-[[2-(1H-imidazol-5-yl)ethylamino]methylene]cyclohexane-1,3-quinone Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)C(=CNCCC3=CN=CN3)C(=O)C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=O)C(=CNCCC3=CN=CN3)C(=O)C2)OC

InChI

InChI=1S/C20H23N3O4/c1-26-19-4-3-13(9-20(19)27-2)14-7-17(24)16(18(25)8-14)11-21-6-5-15-10-22-12-23-15/h3-4,9-12,14,21H,5-8H2,1-2H3,(H,22,23)