4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(3-iodanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(3-iodanylphenyl)piperazine-1-carboxamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(3-iodophenyl)piperazine-1-carboxamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-(3-iodophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(3-iodophenyl)piperazine-1-carboxamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-(3-iodophenyl)piperazine-1-carboxamide Formula: C20H20IN3O4 MolecularWeight: 493.29497

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)NC4=CC(=CC=C4)I

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)NC4=CC(=CC=C4)I

InChI

InChI=1S/C20H20IN3O4/c21-14-4-3-5-15(12-14)22-20(26)24-10-8-23(9-11-24)19(25)18-13-27-16-6-1-2-7-17(16)28-18/h1-7,12,18H,8-11,13H2,(H,22,26)