4-[8-oxidanylidene-7-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoic acid

Systemtic Name: 4-[8-oxidanylidene-7-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoic acid Openeye Name: 4-[8-oxo-7-(4-pyridylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoic acid CAS Name: 4-[8-oxo-7-(pyridin-4-ylmethyl)-5-pyrido[2,3-d]pyridazinyl]benzoic acid IUPAC Name: 4-[8-oxo-7-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoic acid Traditional Name: 4-[8-keto-7-(4-pyridylmethyl)pyrido[2,3-d]pyridazin-5-yl]benzoic acid Formula: C20H14N4O3 MolecularWeight: 358.35016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)N(N=C2C3=CC=C(C=C3)C(=O)O)CC4=CC=NC=C4)N=C1

Isomeric SMILES

C1=CC2=C(C(=O)N(N=C2C3=CC=C(C=C3)C(=O)O)CC4=CC=NC=C4)N=C1

InChI

InChI=1S/C20H14N4O3/c25-19-18-16(2-1-9-22-18)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)