5-[[6-(4-cyanophenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-[[6-(4-cyanophenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]pentanoic acid Openeye Name: 5-[[6-(4-cyanophenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]pentanoic acid CAS Name: 5-[[[6-(4-cyanophenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[[6-(4-cyanophenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]pentanoic acid Traditional Name: 5-[[6-(4-cyanophenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]valeric acid Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C#N)C(=O)NCCCCC(=O)O

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C#N)C(=O)NCCCCC(=O)O

InChI

InChI=1S/C18H18N4O4/c1-22-18(26)14(17(25)20-9-3-2-4-16(23)24)10-15(21-22)13-7-5-12(11-19)6-8-13/h5-8,10H,2-4,9H2,1H3,(H,20,25)(H,23,24)