4-[6-oxidanyl-1-oxidanylidene-5-(phenylmethyl)imidazo[5,1-a]phthalazin-3-yl]benzoic acid

Systemtic Name: 4-[6-oxidanyl-1-oxidanylidene-5-(phenylmethyl)imidazo[5,1-a]phthalazin-3-yl]benzoic acid Openeye Name: 4-(5-benzyl-6-hydroxy-1-oxo-imidazo[5,1-a]phthalazin-3-yl)benzoic acid CAS Name: 4-[6-hydroxy-1-oxo-5-(phenylmethyl)-3-imidazo[5,1-a]phthalazinyl]benzoic acid IUPAC Name: 4-(5-benzyl-6-hydroxy-1-oxoimidazo[5,1-a]phthalazin-3-yl)benzoic acid Traditional Name: 4-(5-benzyl-6-hydroxy-1-keto-imidazo[5,1-a]phthalazin-3-yl)benzoic acid Formula: C24H17N3O4 MolecularWeight: 411.40948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C3C=CC=CC3=C4N2C(=NC4=O)C5=CC=C(C=C5)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C3C=CC=CC3=C4N2C(=NC4=O)C5=CC=C(C=C5)C(=O)O)O

InChI

InChI=1S/C24H17N3O4/c28-22-20-18-8-4-5-9-19(18)23(29)26(14-15-6-2-1-3-7-15)27(20)21(25-22)16-10-12-17(13-11-16)24(30)31/h1-13,29H,14H2,(H,30,31)