4-[(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)methyl]benzoic acid

Systemtic Name: 4-[(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)methyl]benzoic acid Openeye Name: 4-[[1-oxo-4-(3-pyridyl)phthalazin-2-yl]methyl]benzoic acid CAS Name: 4-[[1-oxo-4-(3-pyridinyl)-2-phthalazinyl]methyl]benzoic acid IUPAC Name: 4-[(1-oxo-4-pyridin-3-ylphthalazin-2-yl)methyl]benzoic acid Traditional Name: 4-[[1-keto-4-(3-pyridyl)phthalazin-2-yl]methyl]benzoic acid Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(C=C3)C(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(C=C3)C(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C21H15N3O3/c25-20-18-6-2-1-5-17(18)19(16-4-3-11-22-12-16)23-24(20)13-14-7-9-15(10-8-14)21(26)27/h1-12H,13H2,(H,26,27)