5-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-pyridazin-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]-6-oxo-1-pyridazinyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[6-keto-3-[4-(2-methoxyphenyl)piperazino]pyridazin-1-yl]methyl]-2-furoic acid Formula: C21H22N4O5 MolecularWeight: 410.42318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NN(C(=O)C=C3)CC4=CC=C(O4)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NN(C(=O)C=C3)CC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C21H22N4O5/c1-29-17-5-3-2-4-16(17)23-10-12-24(13-11-23)19-8-9-20(26)25(22-19)14-15-6-7-18(30-15)21(27)28/h2-9H,10-14H2,1H3,(H,27,28)