(3S)-N-(4-bromanyl-2-fluoranyl-phenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-2-fluoranyl-phenyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-fluoro-phenyl)piperidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-fluorophenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-fluoro-phenyl)nipecotamide Formula: C12H14BrFN2O MolecularWeight: 301.154763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C1C[C@@H](CNC1)C(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C12H14BrFN2O/c13-9-3-4-11(10(14)6-9)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)/t8-/m0/s1