4-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(5-fluoro-2-hydroxy-benzoyl)pyrazole-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(5-fluoro-2-hydroxyphenyl)-oxomethyl]-1-pyrazolyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(5-fluoro-2-hydroxybenzoyl)pyrazole-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(5-fluoro-2-hydroxy-benzoyl)pyrazole-1-carbonyl]-2H-phthalazin-1-one Formula: C19H11FN4O4 MolecularWeight: 378.313443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)N3C=C(C=N3)C(=O)C4=C(C=CC(=C4)F)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)N3C=C(C=N3)C(=O)C4=C(C=CC(=C4)F)O

InChI

InChI=1S/C19H11FN4O4/c20-11-5-6-15(25)14(7-11)17(26)10-8-21-24(9-10)19(28)16-12-3-1-2-4-13(12)18(27)23-22-16/h1-9,25H,(H,23,27)