5-azanyl-2-[1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]-4-methyl-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]-4-methyl-1H-pyrazol-3-one Openeye Name: 5-amino-2-[1-(3-chloro-4-fluoro-phenyl)ethyl]-4-methyl-1H-pyrazol-3-one CAS Name: 5-amino-2-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methyl-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methyl-1H-pyrazol-3-one Traditional Name: 5-amino-2-[1-(3-chloro-4-fluoro-phenyl)ethyl]-4-methyl-3-pyrazolin-3-one Formula: C12H13ClFN3O MolecularWeight: 269.702523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)C(C)C2=CC(=C(C=C2)F)Cl)N

Isomeric SMILES

CC1=C(NN(C1=O)C(C)C2=CC(=C(C=C2)F)Cl)N

InChI

InChI=1S/C12H13ClFN3O/c1-6-11(15)16-17(12(6)18)7(2)8-3-4-10(14)9(13)5-8/h3-5,7,16H,15H2,1-2H3