(2-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine

Systemtic Name: (2-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine Openeye Name: (2-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine CAS Name: (2-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine IUPAC Name: (2-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine Traditional Name: [(2-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]amine Formula: C16H16BrNO2 MolecularWeight: 334.20774

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(C3=CC=CC=C3Br)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(C3=CC=CC=C3Br)N)OC1

InChI

InChI=1S/C16H16BrNO2/c17-13-5-2-1-4-12(13)16(18)11-6-7-14-15(10-11)20-9-3-8-19-14/h1-2,4-7,10,16H,3,8-9,18H2