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

Systemtic Name: 5-[6-[4-(5-bromanyl-2-chloranyl-phenoxy)piperidin-1-yl]pyridazin-3-yl]pyridine-3-carboxylic acid Openeye Name: 5-[6-[4-(5-bromo-2-chloro-phenoxy)-1-piperidyl]pyridazin-3-yl]pyridine-3-carboxylic acid CAS Name: 5-[6-[4-(5-bromo-2-chlorophenoxy)-1-piperidinyl]-3-pyridazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[6-[4-(5-bromo-2-chlorophenoxy)piperidin-1-yl]pyridazin-3-yl]pyridine-3-carboxylic acid Traditional Name: 5-[6-[4-(5-bromo-2-chloro-phenoxy)piperidino]pyridazin-3-yl]nicotinic acid Formula: C21H18BrClN4O3 MolecularWeight: 489.74962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrClN4O3/c22-15-1-2-17(23)19(10-15)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)