(3S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-(4-fluorobenzoyl)nipecotamide Formula: C19H17BrF2N2O2 MolecularWeight: 423.251286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H17BrF2N2O2/c20-14-5-8-17(16(22)10-14)23-18(25)13-2-1-9-24(11-13)19(26)12-3-6-15(21)7-4-12/h3-8,10,13H,1-2,9,11H2,(H,23,25)/t13-/m0/s1