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

Systemtic Name: 5-azanyl-2-[1-(2-chloranyl-4-fluoranyl-phenyl)butyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[1-(2-chloro-4-fluoro-phenyl)butyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[1-(2-chloro-4-fluorophenyl)butyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[1-(2-chloro-4-fluorophenyl)butyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-[1-(2-chloro-4-fluoro-phenyl)butyl]-3-pyrazolin-3-one Formula: C13H15ClFN3O MolecularWeight: 283.729103

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=C(C=C1)F)Cl)N2C(=O)C=C(N2)N

Isomeric SMILES

CCCC(C1=C(C=C(C=C1)F)Cl)N2C(=O)C=C(N2)N

InChI

InChI=1S/C13H15ClFN3O/c1-2-3-11(18-13(19)7-12(16)17-18)9-5-4-8(15)6-10(9)14/h4-7,11,17H,2-3,16H2,1H3