5-[6-[4-(2-bromanyl-5-fluoranyl-phenoxy)piperidin-1-yl]pyridazin-3-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[6-[4-(2-bromanyl-5-fluoranyl-phenoxy)piperidin-1-yl]pyridazin-3-yl]pyridine-3-carboxylic acid Openeye Name: 5-[6-[4-(2-bromo-5-fluoro-phenoxy)-1-piperidyl]pyridazin-3-yl]pyridine-3-carboxylic acid CAS Name: 5-[6-[4-(2-bromo-5-fluorophenoxy)-1-piperidinyl]-3-pyridazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[6-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]pyridine-3-carboxylic acid Traditional Name: 5-[6-[4-(2-bromo-5-fluoro-phenoxy)piperidino]pyridazin-3-yl]nicotinic acid Formula: C21H18BrFN4O3 MolecularWeight: 473.295023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=C(C=CC(=C2)F)Br)C3=NN=C(C=C3)C4=CC(=CN=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=C(C=CC(=C2)F)Br)C3=NN=C(C=C3)C4=CC(=CN=C4)C(=O)O

InChI

InChI=1S/C21H18BrFN4O3/c22-17-2-1-15(23)10-19(17)30-16-5-7-27(8-6-16)20-4-3-18(25-26-20)13-9-14(21(28)29)12-24-11-13/h1-4,9-12,16H,5-8H2,(H,28,29)