1-(4-chlorophenyl)-5-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-chlorophenyl)-5-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-chlorophenyl)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-chlorophenyl)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-chlorophenyl)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-chlorophenyl)-5-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methylene]barbituric acid Formula: C21H15ClN4O4 MolecularWeight: 422.8212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15ClN4O4/c1-12-16(20(29)26(24-12)15-5-3-2-4-6-15)11-17-18(27)23-21(30)25(19(17)28)14-9-7-13(22)8-10-14/h2-11,24H,1H3,(H,23,27,30)