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

Systemtic Name: N-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenyl-methanamine Openeye Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenyl-methanamine CAS Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenylmethanamine IUPAC Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenylmethanamine Traditional Name: benzyl-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]amine Formula: C17H18BrNO2 MolecularWeight: 348.23432

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNCC3=CC=CC=C3)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNCC3=CC=CC=C3)Br)OC1

InChI

InChI=1S/C17H18BrNO2/c18-15-9-14(10-16-17(15)21-8-4-7-20-16)12-19-11-13-5-2-1-3-6-13/h1-3,5-6,9-10,19H,4,7-8,11-12H2