N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-[(3-bromo-4-fluoro-phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: (3-bromo-4-fluoro-benzyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)amine Formula: C16H15BrFNO2 MolecularWeight: 352.198203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrFNO2/c17-13-8-11(2-4-14(13)18)10-19-12-3-5-15-16(9-12)21-7-1-6-20-15/h2-5,8-9,19H,1,6-7,10H2