2-[4-[2-(4-iodophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[4-[2-(4-iodophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[4-[2-(4-iodophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[4-[2-(4-iodophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[4-[2-(4-iodophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[4-[2-(4-iodophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Formula: C21H24IN5O MolecularWeight: 489.35263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC3=C(C=CC=C3N2)C(=O)N)CCC4=CC=C(C=C4)I

Isomeric SMILES

C1CN(CCN(C1)C2=NC3=C(C=CC=C3N2)C(=O)N)CCC4=CC=C(C=C4)I

InChI

InChI=1S/C21H24IN5O/c22-16-7-5-15(6-8-16)9-12-26-10-2-11-27(14-13-26)21-24-18-4-1-3-17(20(23)28)19(18)25-21/h1,3-8H,2,9-14H2,(H2,23,28)(H,24,25)