4-[5-oxidanylidene-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-8-yl]benzoic acid

Systemtic Name: 4-[5-oxidanylidene-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-8-yl]benzoic acid Openeye Name: 4-[5-oxo-6-(4-pyridylmethyl)pyrido[2,3-d]pyridazin-8-yl]benzoic acid CAS Name: 4-[5-oxo-6-(pyridin-4-ylmethyl)-8-pyrido[2,3-d]pyridazinyl]benzoic acid IUPAC Name: 4-[5-oxo-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-8-yl]benzoic acid Traditional Name: 4-[5-keto-6-(4-pyridylmethyl)pyrido[2,3-d]pyridazin-8-yl]benzoic acid Formula: C20H14N4O3 MolecularWeight: 358.35016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=NN(C2=O)CC3=CC=NC=C3)C4=CC=C(C=C4)C(=O)O)N=C1

Isomeric SMILES

C1=CC2=C(C(=NN(C2=O)CC3=CC=NC=C3)C4=CC=C(C=C4)C(=O)O)N=C1

InChI

InChI=1S/C20H14N4O3/c25-19-16-2-1-9-22-18(16)17(14-3-5-15(6-4-14)20(26)27)23-24(19)12-13-7-10-21-11-8-13/h1-11H,12H2,(H,26,27)