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

Systemtic Name: N'-[1-(1-cyclohexylethyl)-2-oxidanylidene-azepan-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[1-(1-cyclohexylethyl)-2-oxo-azepan-3-yl]-3-isobutyl-butanediamide CAS Name: N'-[1-(1-cyclohexylethyl)-2-oxo-3-azepanyl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[1-(1-cyclohexylethyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[1-(1-cyclohexylethyl)-2-keto-azepan-3-yl]-3-isobutyl-succinamide Formula: C25H43N3O3 MolecularWeight: 433.62722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43N3O3/c1-5-11-20(23(26)29)21(16-17(2)3)24(30)27-22-14-9-10-15-28(25(22)31)18(4)19-12-7-6-8-13-19/h5,17-22H,1,6-16H2,2-4H3,(H2,26,29)(H,27,30)