4-[[4-fluoranyl-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-phenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[4-fluoranyl-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(4-benzoylpiperazine-1-carbonyl)-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(4-benzoylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(4-benzoylpiperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one Formula: C27H23FN4O3 MolecularWeight: 470.494923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

InChI

InChI=1S/C27H23FN4O3/c28-23-11-10-18(17-24-20-8-4-5-9-21(20)25(33)30-29-24)16-22(23)27(35)32-14-12-31(13-15-32)26(34)19-6-2-1-3-7-19/h1-11,16H,12-15,17H2,(H,30,33)