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

Systemtic Name: methyl 4-[6-oxidanyl-1-oxidanylidene-5-(phenylmethyl)imidazo[5,1-a]phthalazin-3-yl]benzoate Openeye Name: methyl 4-(5-benzyl-6-hydroxy-1-oxo-imidazo[5,1-a]phthalazin-3-yl)benzoate CAS Name: 4-[6-hydroxy-1-oxo-5-(phenylmethyl)-3-imidazo[5,1-a]phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(5-benzyl-6-hydroxy-1-oxoimidazo[5,1-a]phthalazin-3-yl)benzoate Traditional Name: 4-(5-benzyl-6-hydroxy-1-keto-imidazo[5,1-a]phthalazin-3-yl)benzoic acid methyl ester Formula: C25H19N3O4 MolecularWeight: 425.43606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC(=O)C3=C4C=CC=CC4=C(N(N32)CC5=CC=CC=C5)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC(=O)C3=C4C=CC=CC4=C(N(N32)CC5=CC=CC=C5)O

InChI

InChI=1S/C25H19N3O4/c1-32-25(31)18-13-11-17(12-14-18)22-26-23(29)21-19-9-5-6-10-20(19)24(30)27(28(21)22)15-16-7-3-2-4-8-16/h2-14,30H,15H2,1H3