N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C17H14BrClFNO3 MolecularWeight: 414.653363

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCC3=C(C=CC(=C3)Br)F)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCC3=C(C=CC(=C3)Br)F)Cl)OC1

InChI

InChI=1S/C17H14BrClFNO3/c18-12-2-3-14(20)11(6-12)9-21-17(22)10-7-13(19)16-15(8-10)23-4-1-5-24-16/h2-3,6-8H,1,4-5,9H2,(H,21,22)