3-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]benzoic acid

Systemtic Name: 3-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]benzoic acid Openeye Name: 3-[3-(6-quinolylmethyl)imidazo[1,2-b]pyridazin-6-yl]benzoic acid CAS Name: 3-[3-(6-quinolinylmethyl)-6-imidazo[1,2-b]pyridazinyl]benzoic acid IUPAC Name: 3-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]benzoic acid Traditional Name: 3-[3-(6-quinolylmethyl)imidazo[1,2-b]pyridazin-6-yl]benzoic acid Formula: C23H16N4O2 MolecularWeight: 380.39874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=NN3C(=NC=C3CC4=CC5=C(C=C4)N=CC=C5)C=C2

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=NN3C(=NC=C3CC4=CC5=C(C=C4)N=CC=C5)C=C2

InChI

InChI=1S/C23H16N4O2/c28-23(29)18-4-1-3-17(13-18)21-8-9-22-25-14-19(27(22)26-21)12-15-6-7-20-16(11-15)5-2-10-24-20/h1-11,13-14H,12H2,(H,28,29)