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

Systemtic Name: (7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-iodanylphenyl)methanamine Openeye Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-iodophenyl)methanamine CAS Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-iodophenyl)methanamine IUPAC Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-iodophenyl)methanamine Traditional Name: [(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-iodophenyl)methyl]amine Formula: C16H15BrINO2 MolecularWeight: 460.10427

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(C3=CC=CC=C3I)N)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(C3=CC=CC=C3I)N)Br)OC1

InChI

InChI=1S/C16H15BrINO2/c17-12-9-15-14(20-6-3-7-21-15)8-11(12)16(19)10-4-1-2-5-13(10)18/h1-2,4-5,8-9,16H,3,6-7,19H2