2-(3-bromophenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one

Systemtic Name: 2-(3-bromophenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one Openeye Name: 2-(3-bromophenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one CAS Name: 2-(3-bromophenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]-3-pyrazolone IUPAC Name: 2-(3-bromophenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one Traditional Name: 2-(3-bromophenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]-3-pyrazolin-3-one Formula: C17H12BrF3N2O MolecularWeight: 397.18919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N1C2=CC(=CC=C2)Br)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CN1C=C(C(=O)N1C2=CC(=CC=C2)Br)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H12BrF3N2O/c1-22-10-15(11-4-2-5-12(8-11)17(19,20)21)16(24)23(22)14-7-3-6-13(18)9-14/h2-10H,1H3