[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(2-fluoroanilino)-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-(2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoroanilino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(2-fluoroanilino)-2-keto-ethyl] ester Formula: C23H24FN3O4 MolecularWeight: 425.452763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C23H24FN3O4/c1-2-3-4-9-14-27-22(29)17-11-6-5-10-16(17)21(26-27)23(30)31-15-20(28)25-19-13-8-7-12-18(19)24/h5-8,10-13H,2-4,9,14-15H2,1H3,(H,25,28)