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

Systemtic Name: 5-azanyl-2-[1-[3,4-bis(fluoranylmethyl)phenyl]ethyl]-4-methyl-1H-pyrazol-3-one Openeye Name: 5-amino-2-[1-[3,4-bis(fluoromethyl)phenyl]ethyl]-4-methyl-1H-pyrazol-3-one CAS Name: 5-amino-2-[1-[3,4-bis(fluoromethyl)phenyl]ethyl]-4-methyl-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[1-[3,4-bis(fluoromethyl)phenyl]ethyl]-4-methyl-1H-pyrazol-3-one Traditional Name: 5-amino-2-[1-[3,4-bis(fluoromethyl)phenyl]ethyl]-4-methyl-3-pyrazolin-3-one Formula: C14H17F2N3O MolecularWeight: 281.301086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17F2N3O/c1-8-13(17)18-19(14(8)20)9(2)10-3-4-11(6-15)12(5-10)7-16/h3-5,9,18H,6-7,17H2,1-2H3