[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C23H23BrFN3O4 MolecularWeight: 504.348823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C23H23BrFN3O4/c1-2-3-4-7-12-28-22(30)17-9-6-5-8-16(17)21(27-28)23(31)32-14-20(29)26-19-11-10-15(24)13-18(19)25/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,26,29)