(phenylmethyl) 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-1-phthalazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-(4-bromo-2-fluoro-benzyl)-4-keto-phthalazin-1-yl]acetic acid benzyl ester Formula: C24H18BrFN2O3 MolecularWeight: 481.313723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC2=NN(C(=O)C3=CC=CC=C32)CC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC2=NN(C(=O)C3=CC=CC=C32)CC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C24H18BrFN2O3/c25-18-11-10-17(21(26)12-18)14-28-24(30)20-9-5-4-8-19(20)22(27-28)13-23(29)31-15-16-6-2-1-3-7-16/h1-12H,13-15H2