4-[2-[5-(3-imidazol-1-ylprop-1-ynyl)-6-oxidanylidene-pyridazin-1-yl]-1,3-oxazol-4-yl]benzoic acid

Systemtic Name: 4-[2-[5-(3-imidazol-1-ylprop-1-ynyl)-6-oxidanylidene-pyridazin-1-yl]-1,3-oxazol-4-yl]benzoic acid Openeye Name: 4-[2-[5-(3-imidazol-1-ylprop-1-ynyl)-6-oxo-pyridazin-1-yl]oxazol-4-yl]benzoic acid CAS Name: 4-[2-[5-[3-(1-imidazolyl)prop-1-ynyl]-6-oxo-1-pyridazinyl]-4-oxazolyl]benzoic acid IUPAC Name: 4-[2-[5-(3-imidazol-1-ylprop-1-ynyl)-6-oxopyridazin-1-yl]-1,3-oxazol-4-yl]benzoic acid Traditional Name: 4-[2-[5-(3-imidazol-1-ylprop-1-ynyl)-6-keto-pyridazin-1-yl]oxazol-4-yl]benzoic acid Formula: C20H13N5O4 MolecularWeight: 387.34832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=COC(=N2)N3C(=O)C(=CC=N3)C#CCN4C=CN=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=COC(=N2)N3C(=O)C(=CC=N3)C#CCN4C=CN=C4)C(=O)O

InChI

InChI=1S/C20H13N5O4/c26-18-15(2-1-10-24-11-9-21-13-24)7-8-22-25(18)20-23-17(12-29-20)14-3-5-16(6-4-14)19(27)28/h3-9,11-13H,10H2,(H,27,28)