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

Systemtic Name: N'-[1-(cyclopropylmethyl)-2-oxidanylidene-azepan-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[1-(cyclopropylmethyl)-2-oxo-azepan-3-yl]-3-isobutyl-butanediamide CAS Name: N'-[1-(cyclopropylmethyl)-2-oxo-3-azepanyl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[1-(cyclopropylmethyl)-2-keto-azepan-3-yl]-3-isobutyl-succinamide Formula: C21H35N3O3 MolecularWeight: 377.5209

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)CC2CC2

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1CCCCN(C1=O)CC2CC2

InChI

InChI=1S/C21H35N3O3/c1-4-7-16(19(22)25)17(12-14(2)3)20(26)23-18-8-5-6-11-24(21(18)27)13-15-9-10-15/h4,14-18H,1,5-13H2,2-3H3,(H2,22,25)(H,23,26)