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

Systemtic Name: (7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-iodophenyl)methanamine Openeye Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-iodophenyl)methanamine CAS Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-iodophenyl)methanamine IUPAC Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-iodophenyl)methanamine Traditional Name: [(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-iodophenyl)methyl]amine Formula: C16H15ClINO2 MolecularWeight: 415.65327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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