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

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-[(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-[(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-[(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: (2,4-difluorobenzyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)amine Formula: C16H15F2NO2 MolecularWeight: 291.292606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F2NO2/c17-12-3-2-11(14(18)8-12)10-19-13-4-5-15-16(9-13)21-7-1-6-20-15/h2-5,8-9,19H,1,6-7,10H2