3-(2-methylpropyl)-N'-(2-oxidanylidene-1-phenethyl-azepan-3-yl)-2-propyl-butanediamide

Systemtic Name: 3-(2-methylpropyl)-N'-(2-oxidanylidene-1-phenethyl-azepan-3-yl)-2-propyl-butanediamide Openeye Name: 3-isobutyl-N'-(2-oxo-1-phenethyl-azepan-3-yl)-2-propyl-butanediamide CAS Name: 3-(2-methylpropyl)-N'-(2-oxo-1-phenethyl-3-azepanyl)-2-propylbutanediamide IUPAC Name: 3-(2-methylpropyl)-N'-(2-oxo-1-phenethylazepan-3-yl)-2-propylbutanediamide Traditional Name: 3-isobutyl-N'-(2-keto-1-phenethyl-azepan-3-yl)-2-propyl-succinamide Formula: C25H39N3O3 MolecularWeight: 429.59546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CCC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CCC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C25H39N3O3/c1-4-10-20(23(26)29)21(17-18(2)3)24(30)27-22-13-8-9-15-28(25(22)31)16-14-19-11-6-5-7-12-19/h5-7,11-12,18,20-22H,4,8-10,13-17H2,1-3H3,(H2,26,29)(H,27,30)