N-(1,3-benzodioxol-5-yl)-1-(3-bromanyl-5-fluoranyl-phenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(3-bromanyl-5-fluoranyl-phenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluoro-benzoyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-bromo-5-fluorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluoro-benzoyl)isonipecotamide Formula: C20H18BrFN2O4 MolecularWeight: 449.270323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC(=C4)Br)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC(=C4)Br)F

InChI

InChI=1S/C20H18BrFN2O4/c21-14-7-13(8-15(22)9-14)20(26)24-5-3-12(4-6-24)19(25)23-16-1-2-17-18(10-16)28-11-27-17/h1-2,7-10,12H,3-6,11H2,(H,23,25)