N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-1-(4-bromophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-1-(4-bromophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)isonipecotamide Formula: C20H17BrF2N2O4 MolecularWeight: 467.260786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H17BrF2N2O4/c21-14-3-1-13(2-4-14)19(27)25-9-7-12(8-10-25)18(26)24-15-5-6-16-17(11-15)29-20(22,23)28-16/h1-6,11-12H,7-10H2,(H,24,26)