2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methyl]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one CAS Name: 2-[(4-bromo-2-fluorophenyl)methyl]-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-phthalazinone IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methyl]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one Traditional Name: 2-(4-bromo-2-fluoro-benzyl)-4-[2-keto-2-(4-phenylpiperazino)ethyl]phthalazin-1-one Formula: C27H24BrFN4O2 MolecularWeight: 535.407463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=NN(C(=O)C4=CC=CC=C43)CC5=C(C=C(C=C5)Br)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=NN(C(=O)C4=CC=CC=C43)CC5=C(C=C(C=C5)Br)F

InChI

InChI=1S/C27H24BrFN4O2/c28-20-11-10-19(24(29)16-20)18-33-27(35)23-9-5-4-8-22(23)25(30-33)17-26(34)32-14-12-31(13-15-32)21-6-2-1-3-7-21/h1-11,16H,12-15,17-18H2