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

Systemtic Name: 4-[3-[1-(3-imidazol-1-ylprop-1-ynyl)-6-oxidanylidene-pyridazin-3-yl]prop-2-ynyl]benzoic acid Openeye Name: 4-[3-[1-(3-imidazol-1-ylprop-1-ynyl)-6-oxo-pyridazin-3-yl]prop-2-ynyl]benzoic acid CAS Name: 4-[3-[1-[3-(1-imidazolyl)prop-1-ynyl]-6-oxo-3-pyridazinyl]prop-2-ynyl]benzoic acid IUPAC Name: 4-[3-[1-(3-imidazol-1-ylprop-1-ynyl)-6-oxopyridazin-3-yl]prop-2-ynyl]benzoic acid Traditional Name: 4-[3-[1-(3-imidazol-1-ylprop-1-ynyl)-6-keto-pyridazin-3-yl]prop-2-ynyl]benzoic acid Formula: C20H14N4O3 MolecularWeight: 358.35016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#CC2=NN(C(=O)C=C2)C#CCN3C=CN=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC#CC2=NN(C(=O)C=C2)C#CCN3C=CN=C3)C(=O)O

InChI

InChI=1S/C20H14N4O3/c25-19-10-9-18(22-24(19)13-2-12-23-14-11-21-15-23)4-1-3-16-5-7-17(8-6-16)20(26)27/h5-11,14-15H,3,12H2,(H,26,27)