2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(3-iodanylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-[4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-N-(3-iodophenyl)acetamide CAS Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(3-iodophenyl)acetamide IUPAC Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(3-iodophenyl)acetamide Traditional Name: 2-[4-[2-(tert-butylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]-N-(3-iodophenyl)acetamide Formula: C19H29IN4O2 MolecularWeight: 472.36363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)CC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)CC(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C19H29IN4O2/c1-19(2,3)22-18(26)14-24-9-5-8-23(10-11-24)13-17(25)21-16-7-4-6-15(20)12-16/h4,6-7,12H,5,8-11,13-14H2,1-3H3,(H,21,25)(H,22,26)