2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propanamide

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propanamide Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propanamide CAS Name: 2-(2-bromo-4-fluorophenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propanamide IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propanamide Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propionamide Formula: C20H21BrFNO4 MolecularWeight: 438.287443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C(C)OC3=C(C=C(C=C3)F)Br

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C(C)OC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C20H21BrFNO4/c1-12(14-4-6-18-19(10-14)26-9-3-8-25-18)23-20(24)13(2)27-17-7-5-15(22)11-16(17)21/h4-7,10-13H,3,8-9H2,1-2H3,(H,23,24)