1-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-bromo-2-fluoro-phenoxy)acetyl]-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[2-(4-bromo-2-fluoro-phenoxy)acetyl]-N-(3-pyridylmethyl)isonipecotamide Formula: C20H21BrFN3O3 MolecularWeight: 450.301443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H21BrFN3O3/c21-16-3-4-18(17(22)10-16)28-13-19(26)25-8-5-15(6-9-25)20(27)24-12-14-2-1-7-23-11-14/h1-4,7,10-11,15H,5-6,8-9,12-13H2,(H,24,27)