2-butyl-N'-[1-(1-cyclohexylethyl)-2-oxidanylidene-azepan-3-yl]-3-(2-methylpropyl)butanediamide

Systemtic Name: 2-butyl-N'-[1-(1-cyclohexylethyl)-2-oxidanylidene-azepan-3-yl]-3-(2-methylpropyl)butanediamide Openeye Name: 2-butyl-N'-[1-(1-cyclohexylethyl)-2-oxo-azepan-3-yl]-3-isobutyl-butanediamide CAS Name: 2-butyl-N'-[1-(1-cyclohexylethyl)-2-oxo-3-azepanyl]-3-(2-methylpropyl)butanediamide IUPAC Name: 2-butyl-N'-[1-(1-cyclohexylethyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)butanediamide Traditional Name: 2-butyl-N'-[1-(1-cyclohexylethyl)-2-keto-azepan-3-yl]-3-isobutyl-succinamide Formula: C26H47N3O3 MolecularWeight: 449.66968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)C(C)C2CCCCC2)C(=O)N

Isomeric SMILES

CCCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)C(C)C2CCCCC2)C(=O)N

InChI

InChI=1S/C26H47N3O3/c1-5-6-14-21(24(27)30)22(17-18(2)3)25(31)28-23-15-10-11-16-29(26(23)32)19(4)20-12-8-7-9-13-20/h18-23H,5-17H2,1-4H3,(H2,27,30)(H,28,31)