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

Systemtic Name: 4-[3-[5-(3-imidazol-1-ylprop-1-ynyl)-6-oxidanylidene-pyridazin-1-yl]prop-2-ynyl]benzoic acid Openeye Name: 4-[3-[5-(3-imidazol-1-ylprop-1-ynyl)-6-oxo-pyridazin-1-yl]prop-2-ynyl]benzoic acid CAS Name: 4-[3-[5-[3-(1-imidazolyl)prop-1-ynyl]-6-oxo-1-pyridazinyl]prop-2-ynyl]benzoic acid IUPAC Name: 4-[3-[5-(3-imidazol-1-ylprop-1-ynyl)-6-oxopyridazin-1-yl]prop-2-ynyl]benzoic acid Traditional Name: 4-[3-[5-(3-imidazol-1-ylprop-1-ynyl)-6-keto-pyridazin-1-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#CN2C(=O)C(=CC=N2)C#CCN3C=CN=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC#CN2C(=O)C(=CC=N2)C#CCN3C=CN=C3)C(=O)O

InChI

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