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

Systemtic Name: 5-[[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-(4-butoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]barbituric acid Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)C4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H24N4O4/c1-3-4-12-33-19-10-11-20(16(2)13-19)22-17(14-21-23(30)26-25(32)27-24(21)31)15-29(28-22)18-8-6-5-7-9-18/h5-11,13-15H,3-4,12H2,1-2H3,(H2,26,27,30,31,32)