N-[1-[(3-iodanylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]-N'-methyl-2-(2-methylpropyl)-3-propyl-butanediamide

Systemtic Name: N-[1-[(3-iodanylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]-N'-methyl-2-(2-methylpropyl)-3-propyl-butanediamide Openeye Name: N-[1-[(3-iodophenyl)methyl]-2-oxo-azepan-3-yl]-2-isobutyl-N'-methyl-3-propyl-butanediamide CAS Name: N-[1-[(3-iodophenyl)methyl]-2-oxo-3-azepanyl]-N'-methyl-2-(2-methylpropyl)-3-propylbutanediamide IUPAC Name: N-[1-[(3-iodophenyl)methyl]-2-oxoazepan-3-yl]-N'-methyl-2-(2-methylpropyl)-3-propylbutanediamide Traditional Name: N-[1-(3-iodobenzyl)-2-keto-azepan-3-yl]-2-isobutyl-N'-methyl-3-propyl-succinamide Formula: C25H38IN3O3 MolecularWeight: 555.49199

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC(=CC=C2)I)C(=O)NC

Isomeric SMILES

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC(=CC=C2)I)C(=O)NC

InChI

InChI=1S/C25H38IN3O3/c1-5-9-20(23(30)27-4)21(14-17(2)3)24(31)28-22-12-6-7-13-29(25(22)32)16-18-10-8-11-19(26)15-18/h8,10-11,15,17,20-22H,5-7,9,12-14,16H2,1-4H3,(H,27,30)(H,28,31)