N-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propan-1-amine

Systemtic Name: N-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propan-1-amine Openeye Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propan-1-amine CAS Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-propanamine IUPAC Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propan-1-amine Traditional Name: (6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-propyl-amine Formula: C13H18BrNO2 MolecularWeight: 300.19152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CC2=C(C(=C1)Br)OCCCO2

Isomeric SMILES

CCCNCC1=CC2=C(C(=C1)Br)OCCCO2

InChI

InChI=1S/C13H18BrNO2/c1-2-4-15-9-10-7-11(14)13-12(8-10)16-5-3-6-17-13/h7-8,15H,2-6,9H2,1H3