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

Systemtic Name: 3-(2-methylpropyl)-N'-[2-oxidanylidene-1-(phenylmethyl)azepan-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-(1-benzyl-2-oxo-azepan-3-yl)-3-isobutyl-butanediamide CAS Name: 3-(2-methylpropyl)-N'-[2-oxo-1-(phenylmethyl)-3-azepanyl]-2-prop-2-enylbutanediamide IUPAC Name: N'-(1-benzyl-2-oxoazepan-3-yl)-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-(1-benzyl-2-keto-azepan-3-yl)-3-isobutyl-succinamide Formula: C24H35N3O3 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1CCCCN(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1CCCCN(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C24H35N3O3/c1-4-10-19(22(25)28)20(15-17(2)3)23(29)26-21-13-8-9-14-27(24(21)30)16-18-11-6-5-7-12-18/h4-7,11-12,17,19-21H,1,8-10,13-16H2,2-3H3,(H2,25,28)(H,26,29)