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

Systemtic Name: N'-[1-(cyclobutylmethyl)-2-oxidanylidene-azepan-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[1-(cyclobutylmethyl)-2-oxo-azepan-3-yl]-3-isobutyl-butanediamide CAS Name: N'-[1-(cyclobutylmethyl)-2-oxo-3-azepanyl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[1-(cyclobutylmethyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[1-(cyclobutylmethyl)-2-keto-azepan-3-yl]-3-isobutyl-succinamide Formula: C22H37N3O3 MolecularWeight: 391.54748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1CCCCN(C1=O)CC2CCC2

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1CCCCN(C1=O)CC2CCC2

InChI

InChI=1S/C22H37N3O3/c1-4-8-17(20(23)26)18(13-15(2)3)21(27)24-19-11-5-6-12-25(22(19)28)14-16-9-7-10-16/h4,15-19H,1,5-14H2,2-3H3,(H2,23,26)(H,24,27)