5-[[3-(4-cyanophenyl)-6-oxidanylidene-1H-pyridazin-5-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-[[3-(4-cyanophenyl)-6-oxidanylidene-1H-pyridazin-5-yl]carbonylamino]pentanoic acid Openeye Name: 5-[[3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carbonyl]amino]pentanoic acid CAS Name: 5-[[[3-(4-cyanophenyl)-6-oxo-1H-pyridazin-5-yl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[[3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carbonyl]amino]pentanoic acid Traditional Name: 5-[[3-(4-cyanophenyl)-6-keto-1H-pyridazine-5-carbonyl]amino]valeric acid Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NNC(=O)C(=C2)C(=O)NCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NNC(=O)C(=C2)C(=O)NCCCCC(=O)O

InChI

InChI=1S/C17H16N4O4/c18-10-11-4-6-12(7-5-11)14-9-13(17(25)21-20-14)16(24)19-8-2-1-3-15(22)23/h4-7,9H,1-3,8H2,(H,19,24)(H,21,25)(H,22,23)