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

Systemtic Name: 4-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(2-chloro-4-fluoro-benzyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C27H24ClFN4O2 MolecularWeight: 490.956463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H24ClFN4O2/c28-24-16-21(29)11-10-20(24)18-31-12-14-32(15-13-31)27(35)25-22-8-4-5-9-23(22)26(34)33(30-25)17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2