ethyl 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-methyl-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-methyl-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-5-methyl-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-(4-bromo-2-fluoro-benzyl)-4-keto-5-methyl-phthalazin-1-yl]acetic acid ethyl ester Formula: C20H18BrFN2O3 MolecularWeight: 433.270923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=C1C=CC=C2C)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=C1C=CC=C2C)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H18BrFN2O3/c1-3-27-18(25)10-17-15-6-4-5-12(2)19(15)20(26)24(23-17)11-13-7-8-14(21)9-16(13)22/h4-9H,3,10-11H2,1-2H3