5-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]barbituric acid Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H18N4O5/c1-30-17-9-8-13(11-18(17)31-2)19-14(10-16-20(27)23-22(29)24-21(16)28)12-26(25-19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,23,24,27,28,29)