[1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-(2,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-(2,4-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H23F2N3O4 MolecularWeight: 443.443226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C23H23F2N3O4/c1-3-4-7-12-28-22(30)17-9-6-5-8-16(17)20(27-28)23(31)32-14(2)21(29)26-19-11-10-15(24)13-18(19)25/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3,(H,26,29)