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

Systemtic Name: N-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-methoxy-propan-1-amine Openeye Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-methoxy-propan-1-amine CAS Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-methoxy-1-propanamine IUPAC Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-methoxypropan-1-amine Traditional Name: (6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(3-methoxypropyl)amine Formula: C14H20BrNO3 MolecularWeight: 330.2175

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNCC1=CC2=C(C(=C1)Br)OCCCO2

Isomeric SMILES

COCCCNCC1=CC2=C(C(=C1)Br)OCCCO2

InChI

InChI=1S/C14H20BrNO3/c1-17-5-2-4-16-10-11-8-12(15)14-13(9-11)18-6-3-7-19-14/h8-9,16H,2-7,10H2,1H3