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

Systemtic Name: N-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]butan-1-amine Openeye Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]butan-1-amine CAS Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-butanamine IUPAC Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]butan-1-amine Traditional Name: (6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-butyl-amine Formula: C14H20BrNO2 MolecularWeight: 314.2181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC2=C(C(=C1)Br)OCCCO2

Isomeric SMILES

CCCCNCC1=CC2=C(C(=C1)Br)OCCCO2

InChI

InChI=1S/C14H20BrNO2/c1-2-3-5-16-10-11-8-12(15)14-13(9-11)17-6-4-7-18-14/h8-9,16H,2-7,10H2,1H3