4-(2,2-dimethylpropanoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one; terbium(3+)

Systemtic Name: 4-(2,2-dimethylpropanoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one; terbium(3+) Openeye Name: 4-(2,2-dimethylpropanoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one; terbium(3+) CAS Name: 4-(2,2-dimethyl-1-oxopropyl)-5-methyl-2-phenyl-4H-pyrazol-3-one; terbium(3+) IUPAC Name: 4-(2,2-dimethylpropanoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one; terbium(3+) Traditional Name: 5-methyl-2-phenyl-4-pivaloyl-2-pyrazolin-3-one; terbium(3+) Formula: C45H54N6O6Tb+3 MolecularWeight: 933.8722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=O)C(C)(C)C)C2=CC=CC=C2.CC1=NN(C(=O)C1C(=O)C(C)(C)C)C2=CC=CC=C2.CC1=NN(C(=O)C1C(=O)C(C)(C)C)C2=CC=CC=C2.[Tb+3]

Isomeric SMILES

CC1=NN(C(=O)C1C(=O)C(C)(C)C)C2=CC=CC=C2.CC1=NN(C(=O)C1C(=O)C(C)(C)C)C2=CC=CC=C2.CC1=NN(C(=O)C1C(=O)C(C)(C)C)C2=CC=CC=C2.[Tb+3]

InChI

InChI=1S/3C15H18N2O2.Tb/c3*1-10-12(13(18)15(2,3)4)14(19)17(16-10)11-8-6-5-7-9-11;/h3*5-9,12H,1-4H3;/q;;;+3