1,3-benzodioxol-5-yl-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(3-iodobenzyl)-1,4-diazepan-1-yl]methanone Formula: C20H21IN2O3 MolecularWeight: 464.29681

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)CC4=CC(=CC=C4)I

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)CC4=CC(=CC=C4)I

InChI

InChI=1S/C20H21IN2O3/c21-17-4-1-3-15(11-17)13-22-7-2-8-23(10-9-22)20(24)16-5-6-18-19(12-16)26-14-25-18/h1,3-6,11-12H,2,7-10,13-14H2