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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16INO2/c17-13-4-1-3-11(9-13)16(18)12-5-6-14-15(10-12)20-8-2-7-19-14/h1,3-6,9-10,16H,2,7-8,18H2