N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-iodanyl-aniline

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-iodanyl-aniline Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-iodo-aniline CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-iodoaniline IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-iodoaniline Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(4-iodophenyl)amine Formula: C16H15ClINO2 MolecularWeight: 415.65327

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=CC=C(C=C3)I)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=CC=C(C=C3)I)Cl)OC1

InChI

InChI=1S/C16H15ClINO2/c17-14-8-11(9-15-16(14)21-7-1-6-20-15)10-19-13-4-2-12(18)3-5-13/h2-5,8-9,19H,1,6-7,10H2