methyl 2,4-bis(fluoranyl)-5-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]benzoate CAS Name: 2,4-difluoro-5-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]benzoate Traditional Name: 2,4-difluoro-5-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]benzoic acid methyl ester Formula: C20H17F2N3O4 MolecularWeight: 401.363486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C(=C3)C(=O)OC)F)F

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C(=C3)C(=O)OC)F)F

InChI

InChI=1S/C20H17F2N3O4/c1-10(2)25-19(27)12-7-5-4-6-11(12)17(24-25)18(26)23-16-8-13(20(28)29-3)14(21)9-15(16)22/h4-10H,1-3H3,(H,23,26)