2-[3-(5-cyano-6-oxidanylidene-3,4-diphenyl-pyridazin-1-yl)propanoylamino]ethanoic acid

Systemtic Name: 2-[3-(5-cyano-6-oxidanylidene-3,4-diphenyl-pyridazin-1-yl)propanoylamino]ethanoic acid Openeye Name: 2-[3-(5-cyano-6-oxo-3,4-diphenyl-pyridazin-1-yl)propanoylamino]acetic acid CAS Name: 2-[[3-(5-cyano-6-oxo-3,4-diphenyl-1-pyridazinyl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[3-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)propanoylamino]acetic acid Traditional Name: 2-[3-(5-cyano-6-keto-3,4-diphenyl-pyridazin-1-yl)propanoylamino]acetic acid Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(N=C2C3=CC=CC=C3)CCC(=O)NCC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(N=C2C3=CC=CC=C3)CCC(=O)NCC(=O)O)C#N

InChI

InChI=1S/C22H18N4O4/c23-13-17-20(15-7-3-1-4-8-15)21(16-9-5-2-6-10-16)25-26(22(17)30)12-11-18(27)24-14-19(28)29/h1-10H,11-12,14H2,(H,24,27)(H,28,29)