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

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-iodanylphenyl)methanamine Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-iodophenyl)methanamine CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-iodophenyl)methanamine IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-iodophenyl)methanamine Traditional Name: [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-iodophenyl)methyl]amine Formula: C16H16INO2 MolecularWeight: 381.20821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16INO2/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