3-[[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H13FN4O4 MolecularWeight: 380.329323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)F

InChI

InChI=1S/C19H13FN4O4/c1-10-6-7-11(8-14(10)20)17-21-15(28-23-17)9-24-18(25)13-5-3-2-4-12(13)16(22-24)19(26)27/h2-8H,9H2,1H3,(H,26,27)