N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromo-2-chloro-phenoxy)acetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromo-2-chlorophenoxy)acetyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromo-2-chloro-phenoxy)acetyl]isonipecotamide Formula: C21H20BrClN2O5 MolecularWeight: 495.7509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)COC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)COC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C21H20BrClN2O5/c22-14-1-3-17(16(23)9-14)28-11-20(26)25-7-5-13(6-8-25)21(27)24-15-2-4-18-19(10-15)30-12-29-18/h1-4,9-10,13H,5-8,11-12H2,(H,24,27)