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

Systemtic Name: methyl 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H14BrFN2O3 MolecularWeight: 405.217763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H14BrFN2O3/c1-25-17(23)9-16-13-4-2-3-5-14(13)18(24)22(21-16)10-11-6-7-12(19)8-15(11)20/h2-8H,9-10H2,1H3