2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(3-iodanyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(3-iodanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-[2-(dimethylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-N-(3-iodo-4-methyl-phenyl)acetamide CAS Name: 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(3-iodo-4-methylphenyl)acetamide IUPAC Name: 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(3-iodo-4-methylphenyl)acetamide Traditional Name: 2-[4-[2-(dimethylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]-N-(3-iodo-4-methyl-phenyl)acetamide Formula: C18H27IN4O2 MolecularWeight: 458.33705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)CC(=O)N(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)CC(=O)N(C)C)I

InChI

InChI=1S/C18H27IN4O2/c1-14-5-6-15(11-16(14)19)20-17(24)12-22-7-4-8-23(10-9-22)13-18(25)21(2)3/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,20,24)