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

Systemtic Name: 5-azanyl-2-[1-[3,4-bis(fluoranyl)phenyl]ethyl]-4-methyl-1H-pyrazol-3-one Openeye Name: 5-amino-2-[1-(3,4-difluorophenyl)ethyl]-4-methyl-1H-pyrazol-3-one CAS Name: 5-amino-2-[1-(3,4-difluorophenyl)ethyl]-4-methyl-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[1-(3,4-difluorophenyl)ethyl]-4-methyl-1H-pyrazol-3-one Traditional Name: 5-amino-2-[1-(3,4-difluorophenyl)ethyl]-4-methyl-3-pyrazolin-3-one Formula: C12H13F2N3O MolecularWeight: 253.247926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2N3O/c1-6-11(15)16-17(12(6)18)7(2)8-3-4-9(13)10(14)5-8/h3-5,7,16H,15H2,1-2H3