3-[3-(2-imidazol-1-ylethyl)-4-oxidanylidene-phthalazin-1-yl]benzoic acid

Systemtic Name: 3-[3-(2-imidazol-1-ylethyl)-4-oxidanylidene-phthalazin-1-yl]benzoic acid Openeye Name: 3-[3-(2-imidazol-1-ylethyl)-4-oxo-phthalazin-1-yl]benzoic acid CAS Name: 3-[3-[2-(1-imidazolyl)ethyl]-4-oxo-1-phthalazinyl]benzoic acid IUPAC Name: 3-[3-(2-imidazol-1-ylethyl)-4-oxophthalazin-1-yl]benzoic acid Traditional Name: 3-[3-(2-imidazol-1-ylethyl)-4-keto-phthalazin-1-yl]benzoic acid Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=CN=C3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=CN=C3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C20H16N4O3/c25-19-17-7-2-1-6-16(17)18(14-4-3-5-15(12-14)20(26)27)22-24(19)11-10-23-9-8-21-13-23/h1-9,12-13H,10-11H2,(H,26,27)