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

Systemtic Name: 4-[3-[6-oxidanylidene-1-(pyridin-4-ylmethylcarbamoyl)pyridazin-3-yl]prop-2-ynyl]benzoic acid Openeye Name: 4-[3-[6-oxo-1-(4-pyridylmethylcarbamoyl)pyridazin-3-yl]prop-2-ynyl]benzoic acid CAS Name: 4-[3-[6-oxo-1-[oxo-(pyridin-4-ylmethylamino)methyl]-3-pyridazinyl]prop-2-ynyl]benzoic acid IUPAC Name: 4-[3-[6-oxo-1-(pyridin-4-ylmethylcarbamoyl)pyridazin-3-yl]prop-2-ynyl]benzoic acid Traditional Name: 4-[3-[6-keto-1-(4-pyridylmethylcarbamoyl)pyridazin-3-yl]prop-2-ynyl]benzoic acid Formula: C21H16N4O4 MolecularWeight: 388.37614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#CC2=NN(C(=O)C=C2)C(=O)NCC3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC#CC2=NN(C(=O)C=C2)C(=O)NCC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C21H16N4O4/c26-19-9-8-18(3-1-2-15-4-6-17(7-5-15)20(27)28)24-25(19)21(29)23-14-16-10-12-22-13-11-16/h4-13H,2,14H2,(H,23,29)(H,27,28)