4-(2-bromanylbutanoyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-(2-bromanylbutanoyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-(2-bromobutanoyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-(2-bromo-1-oxobutyl)-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-(2-bromobutanoyl)-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-(2-bromobutanoyl)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C15H17BrN2O2 MolecularWeight: 337.21168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)Br

Isomeric SMILES

CCC(C(=O)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)Br

InChI

InChI=1S/C15H17BrN2O2/c1-4-12(16)14(19)13-10(2)17(3)18(15(13)20)11-8-6-5-7-9-11/h5-9,12H,4H2,1-3H3