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

Systemtic Name: 4-azanyl-2-[2,4-bis(fluoranyl)phenyl]-5-tert-butyl-1-methyl-pyrazol-3-one Openeye Name: 4-amino-5-tert-butyl-2-(2,4-difluorophenyl)-1-methyl-pyrazol-3-one CAS Name: 4-amino-5-tert-butyl-2-(2,4-difluorophenyl)-1-methyl-3-pyrazolone IUPAC Name: 4-amino-5-tert-butyl-2-(2,4-difluorophenyl)-1-methylpyrazol-3-one Traditional Name: 4-amino-5-tert-butyl-2-(2,4-difluorophenyl)-1-methyl-3-pyrazolin-3-one Formula: C14H17F2N3O MolecularWeight: 281.301086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)N(N1C)C2=C(C=C(C=C2)F)F)N

Isomeric SMILES

CC(C)(C)C1=C(C(=O)N(N1C)C2=C(C=C(C=C2)F)F)N

InChI

InChI=1S/C14H17F2N3O/c1-14(2,3)12-11(17)13(20)19(18(12)4)10-6-5-8(15)7-9(10)16/h5-7H,17H2,1-4H3