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

Systemtic Name: 4-azanyl-2-[2,4-bis(fluoranyl)phenyl]-1-methyl-5-propyl-pyrazol-3-one Openeye Name: 4-amino-2-(2,4-difluorophenyl)-1-methyl-5-propyl-pyrazol-3-one CAS Name: 4-amino-2-(2,4-difluorophenyl)-1-methyl-5-propyl-3-pyrazolone IUPAC Name: 4-amino-2-(2,4-difluorophenyl)-1-methyl-5-propylpyrazol-3-one Traditional Name: 4-amino-2-(2,4-difluorophenyl)-1-methyl-5-propyl-3-pyrazolin-3-one Formula: C13H15F2N3O MolecularWeight: 267.274506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1C)C2=C(C=C(C=C2)F)F)N

Isomeric SMILES

CCCC1=C(C(=O)N(N1C)C2=C(C=C(C=C2)F)F)N

InChI

InChI=1S/C13H15F2N3O/c1-3-4-11-12(16)13(19)18(17(11)2)10-6-5-8(14)7-9(10)15/h5-7H,3-4,16H2,1-2H3