2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[[4-(2-chloro-6-fluoro-benzyl)piperazino]methyl]-4-phenyl-phthalazin-1-one Formula: C26H24ClFN4O MolecularWeight: 462.946363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C26H24ClFN4O/c27-23-11-6-12-24(28)22(23)17-30-13-15-31(16-14-30)18-32-26(33)21-10-5-4-9-20(21)25(29-32)19-7-2-1-3-8-19/h1-12H,13-18H2