6-[4-[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoyl]piperazin-1-yl]pyridine-3-carboxamide

Systemtic Name: 6-[4-[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoyl]piperazin-1-yl]pyridine-3-carboxamide Openeye Name: 6-[4-[2-(2-bromo-4-fluoro-phenoxy)acetyl]piperazin-1-yl]pyridine-3-carboxamide CAS Name: 6-[4-[2-(2-bromo-4-fluorophenoxy)-1-oxoethyl]-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-[2-(2-bromo-4-fluorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carboxamide Traditional Name: 6-[4-[2-(2-bromo-4-fluoro-phenoxy)acetyl]piperazino]nicotinamide Formula: C18H18BrFN4O3 MolecularWeight: 437.262923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(=O)N)C(=O)COC3=C(C=C(C=C3)F)Br

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(=O)N)C(=O)COC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C18H18BrFN4O3/c19-14-9-13(20)2-3-15(14)27-11-17(25)24-7-5-23(6-8-24)16-4-1-12(10-22-16)18(21)26/h1-4,9-10H,5-8,11H2,(H2,21,26)