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

Systemtic Name: 2-butyl-N'-[1-(cyclohexylmethyl)-2-oxidanylidene-azepan-3-yl]-3-(2-methylpropyl)butanediamide Openeye Name: 2-butyl-N'-[1-(cyclohexylmethyl)-2-oxo-azepan-3-yl]-3-isobutyl-butanediamide CAS Name: 2-butyl-N'-[1-(cyclohexylmethyl)-2-oxo-3-azepanyl]-3-(2-methylpropyl)butanediamide IUPAC Name: 2-butyl-N'-[1-(cyclohexylmethyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)butanediamide Traditional Name: 2-butyl-N'-[1-(cyclohexylmethyl)-2-keto-azepan-3-yl]-3-isobutyl-succinamide Formula: C25H45N3O3 MolecularWeight: 435.6431

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2CCCCC2)C(=O)N

Isomeric SMILES

CCCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2CCCCC2)C(=O)N

InChI

InChI=1S/C25H45N3O3/c1-4-5-13-20(23(26)29)21(16-18(2)3)24(30)27-22-14-9-10-15-28(25(22)31)17-19-11-7-6-8-12-19/h18-22H,4-17H2,1-3H3,(H2,26,29)(H,27,30)