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

Systemtic Name: 3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[3-(phenylcarbonyl)phenyl]azepan-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[1-(3-benzoylphenyl)-2-oxo-azepan-3-yl]-3-isobutyl-butanediamide CAS Name: N'-[1-(3-benzoylphenyl)-2-oxo-3-azepanyl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[1-(3-benzoylphenyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[1-(3-benzoylphenyl)-2-keto-azepan-3-yl]-3-isobutyl-succinamide Formula: C30H37N3O4 MolecularWeight: 503.63248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1CCCCN(C1=O)C2=CC=CC(=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1CCCCN(C1=O)C2=CC=CC(=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H37N3O4/c1-4-11-24(28(31)35)25(18-20(2)3)29(36)32-26-16-8-9-17-33(30(26)37)23-15-10-14-22(19-23)27(34)21-12-6-5-7-13-21/h4-7,10,12-15,19-20,24-26H,1,8-9,11,16-18H2,2-3H3,(H2,31,35)(H,32,36)