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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-bromanyl-4-fluoranyl-phenoxy)propanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-bromo-4-fluoro-phenoxy)propanoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-bromo-4-fluorophenoxy)-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-bromo-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-bromo-4-fluoro-phenoxy)propanoyl]isonipecotamide Formula: C22H22BrFN2O5 MolecularWeight: 493.322883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3)OC4=C(C=C(C=C4)F)Br

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3)OC4=C(C=C(C=C4)F)Br

InChI

InChI=1S/C22H22BrFN2O5/c1-13(31-18-4-2-15(24)10-17(18)23)22(28)26-8-6-14(7-9-26)21(27)25-16-3-5-19-20(11-16)30-12-29-19/h2-5,10-11,13-14H,6-9,12H2,1H3,(H,25,27)