(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-phenyl-methanamine

Systemtic Name: (7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-phenyl-methanamine Openeye Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-phenyl-methanamine CAS Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-phenylmethanamine IUPAC Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-phenylmethanamine Traditional Name: [(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-phenyl-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=C3)N)Br)OC1

Isomeric SMILES

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

InChI

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