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

Systemtic Name: 4-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(2-hydroxy-5-methyl-benzoyl)pyrazole-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2-hydroxy-5-methylbenzoyl)pyrazole-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2-hydroxy-5-methyl-benzoyl)pyrazole-1-carbonyl]-2H-phthalazin-1-one Formula: C20H14N4O4 MolecularWeight: 374.34956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H14N4O4/c1-11-6-7-16(25)15(8-11)18(26)12-9-21-24(10-12)20(28)17-13-4-2-3-5-14(13)19(27)23-22-17/h2-10,25H,1H3,(H,23,27)