(3,4-dimethoxyphenyl)-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-(3-iodobenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H25IN2O3 MolecularWeight: 480.33927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC(=CC=C3)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC(=CC=C3)I)OC

InChI

InChI=1S/C21H25IN2O3/c1-26-19-8-7-17(14-20(19)27-2)21(25)24-10-4-9-23(11-12-24)15-16-5-3-6-18(22)13-16/h3,5-8,13-14H,4,9-12,15H2,1-2H3