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

Systemtic Name: 4-[2-[1-(3-imidazol-1-ylprop-1-ynyl)-6-oxidanylidene-pyridazin-3-yl]-1,3-oxazol-4-yl]benzoic acid Openeye Name: 4-[2-[1-(3-imidazol-1-ylprop-1-ynyl)-6-oxo-pyridazin-3-yl]oxazol-4-yl]benzoic acid CAS Name: 4-[2-[1-[3-(1-imidazolyl)prop-1-ynyl]-6-oxo-3-pyridazinyl]-4-oxazolyl]benzoic acid IUPAC Name: 4-[2-[1-(3-imidazol-1-ylprop-1-ynyl)-6-oxopyridazin-3-yl]-1,3-oxazol-4-yl]benzoic acid Traditional Name: 4-[2-[1-(3-imidazol-1-ylprop-1-ynyl)-6-keto-pyridazin-3-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)C3=NN(C(=O)C=C3)C#CCN4C=CN=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=COC(=N2)C3=NN(C(=O)C=C3)C#CCN4C=CN=C4)C(=O)O

InChI

InChI=1S/C20H13N5O4/c26-18-7-6-16(23-25(18)10-1-9-24-11-8-21-13-24)19-22-17(12-29-19)14-2-4-15(5-3-14)20(27)28/h2-8,11-13H,9H2,(H,27,28)