N-methoxy-3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propyl-butanediamide

Systemtic Name: N-methoxy-3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propyl-butanediamide Openeye Name: 3-isobutyl-N-methoxy-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propyl-butanediamide CAS Name: N-methoxy-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-3-azepanyl]-2-propylbutanediamide IUPAC Name: N-methoxy-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propylbutanediamide Traditional Name: 2-isobutyl-N-[2-keto-1-(3-phenoxybenzyl)azepan-3-yl]-N'-methoxy-3-propyl-succinamide Formula: C31H43N3O5 MolecularWeight: 537.69022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NOC

Isomeric SMILES

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NOC

InChI

InChI=1S/C31H43N3O5/c1-5-12-26(30(36)33-38-4)27(19-22(2)3)29(35)32-28-17-9-10-18-34(31(28)37)21-23-13-11-16-25(20-23)39-24-14-7-6-8-15-24/h6-8,11,13-16,20,22,26-28H,5,9-10,12,17-19,21H2,1-4H3,(H,32,35)(H,33,36)