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

Systemtic Name: 2-dimethylaminoethyl 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: 2-dimethylaminoethyl 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 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 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 2-dimethylaminoethyl ester Formula: C21H21BrFN3O3 MolecularWeight: 462.312143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrFN3O3/c1-25(2)9-10-29-20(27)12-19-16-5-3-4-6-17(16)21(28)26(24-19)13-14-7-8-15(22)11-18(14)23/h3-8,11H,9-10,12-13H2,1-2H3