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

Systemtic Name: 5-[[6-oxidanylidene-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[6-oxo-3-(4-phenyl-1-piperazinyl)-1-pyridazinyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[6-keto-3-(4-phenylpiperazino)pyridazin-1-yl]methyl]-2-furoic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NN(C(=O)C=C3)CC4=CC=C(O4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NN(C(=O)C=C3)CC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C20H20N4O4/c25-19-9-8-18(21-24(19)14-16-6-7-17(28-16)20(26)27)23-12-10-22(11-13-23)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,26,27)