2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-6-[4-(1-piperidyl)phenyl]pyridazin-3-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl]-6-[4-(1-piperidinyl)phenyl]-3-pyridazinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-6-(4-piperidinophenyl)pyridazin-3-one Formula: C22H21ClFN3O MolecularWeight: 397.873043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C3=NN(C(=O)C=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C3=NN(C(=O)C=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H21ClFN3O/c23-19-5-4-6-20(24)18(19)15-27-22(28)12-11-21(25-27)16-7-9-17(10-8-16)26-13-2-1-3-14-26/h4-12H,1-3,13-15H2