3-[[3-(3-bromanyl-5-cyclopropyl-phenoxy)-4-chloranyl-2-fluoranyl-phenyl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[3-(3-bromanyl-5-cyclopropyl-phenoxy)-4-chloranyl-2-fluoranyl-phenyl]methyl]-1H-pyridazin-6-one Openeye Name: 3-[[3-(3-bromo-5-cyclopropyl-phenoxy)-4-chloro-2-fluoro-phenyl]methyl]-1H-pyridazin-6-one CAS Name: 3-[[3-(3-bromo-5-cyclopropylphenoxy)-4-chloro-2-fluorophenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[[3-(3-bromo-5-cyclopropylphenoxy)-4-chloro-2-fluorophenyl]methyl]-1H-pyridazin-6-one Traditional Name: 3-[3-(3-bromo-5-cyclopropyl-phenoxy)-4-chloro-2-fluoro-benzyl]-1H-pyridazin-6-one Formula: C20H15BrClFN2O2 MolecularWeight: 449.700703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=CC(=C2)Br)OC3=C(C=CC(=C3F)CC4=NNC(=O)C=C4)Cl

Isomeric SMILES

C1CC1C2=CC(=CC(=C2)Br)OC3=C(C=CC(=C3F)CC4=NNC(=O)C=C4)Cl

InChI

InChI=1S/C20H15BrClFN2O2/c21-14-7-13(11-1-2-11)9-16(10-14)27-20-17(22)5-3-12(19(20)23)8-15-4-6-18(26)25-24-15/h3-7,9-11H,1-2,8H2,(H,25,26)