2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one CAS Name: 2-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one IUPAC Name: 2-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one Traditional Name: 2-(3-chloro-4-fluoro-benzyl)-5-methyl-4-phenyl-3-pyrazolin-3-one Formula: C17H14ClFN2O MolecularWeight: 316.757263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CC2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1)CC2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H14ClFN2O/c1-11-16(13-5-3-2-4-6-13)17(22)21(20-11)10-12-7-8-15(19)14(18)9-12/h2-9,20H,10H2,1H3