2-[1-(4-bromanyl-3-chloranyl-phenyl)ethyl]-4,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 2-[1-(4-bromanyl-3-chloranyl-phenyl)ethyl]-4,5-dimethyl-1H-pyrazol-3-one Openeye Name: 2-[1-(4-bromo-3-chloro-phenyl)ethyl]-4,5-dimethyl-1H-pyrazol-3-one CAS Name: 2-[1-(4-bromo-3-chlorophenyl)ethyl]-4,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 2-[1-(4-bromo-3-chlorophenyl)ethyl]-4,5-dimethyl-1H-pyrazol-3-one Traditional Name: 2-[1-(4-bromo-3-chloro-phenyl)ethyl]-4,5-dimethyl-3-pyrazolin-3-one Formula: C13H14BrClN2O MolecularWeight: 329.62006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)C(C)C2=CC(=C(C=C2)Br)Cl)C

Isomeric SMILES

CC1=C(NN(C1=O)C(C)C2=CC(=C(C=C2)Br)Cl)C

InChI

InChI=1S/C13H14BrClN2O/c1-7-8(2)16-17(13(7)18)9(3)10-4-5-11(14)12(15)6-10/h4-6,9,16H,1-3H3