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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-iodophenyl)-N-methyl-methanamine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-iodophenyl)-N-methyl-methanamine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-iodophenyl)-N-methylmethanamine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-iodophenyl)-N-methylmethanamine Traditional Name: [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-iodophenyl)methyl]-methyl-amine Formula: C17H18INO2 MolecularWeight: 395.23479

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C1=CC=C(C=C1)I)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CNC(C1=CC=C(C=C1)I)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H18INO2/c1-19-17(12-3-6-14(18)7-4-12)13-5-8-15-16(11-13)21-10-2-9-20-15/h3-8,11,17,19H,2,9-10H2,1H3