N-[2-(azepan-1-ylcarbonyl)phenyl]-2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(2-bromo-4-sec-butyl-phenoxy)acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(2-bromo-4-butan-2-ylphenoxy)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(2-bromo-4-butan-2-ylphenoxy)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(2-bromo-4-sec-butyl-phenoxy)acetamide Formula: C25H31BrN2O3 MolecularWeight: 487.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)Br

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)Br

InChI

InChI=1S/C25H31BrN2O3/c1-3-18(2)19-12-13-23(21(26)16-19)31-17-24(29)27-22-11-7-6-10-20(22)25(30)28-14-8-4-5-9-15-28/h6-7,10-13,16,18H,3-5,8-9,14-15,17H2,1-2H3,(H,27,29)