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

Systemtic Name: 2-butyl-3-(2-methylpropyl)-N'-(2-oxidanylidene-1-phenethyl-azepan-3-yl)butanediamide Openeye Name: 2-butyl-3-isobutyl-N'-(2-oxo-1-phenethyl-azepan-3-yl)butanediamide CAS Name: 2-butyl-3-(2-methylpropyl)-N'-(2-oxo-1-phenethyl-3-azepanyl)butanediamide IUPAC Name: 2-butyl-3-(2-methylpropyl)-N'-(2-oxo-1-phenethylazepan-3-yl)butanediamide Traditional Name: 2-butyl-3-isobutyl-N'-(2-keto-1-phenethyl-azepan-3-yl)succinamide Formula: C26H41N3O3 MolecularWeight: 443.62204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41N3O3/c1-4-5-13-21(24(27)30)22(18-19(2)3)25(31)28-23-14-9-10-16-29(26(23)32)17-15-20-11-7-6-8-12-20/h6-8,11-12,19,21-23H,4-5,9-10,13-18H2,1-3H3,(H2,27,30)(H,28,31)