N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(2,4-dibromo-6-methyl-phenoxy)acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(2,4-dibromo-6-methyl-phenoxy)acetamide Formula: C22H24Br2N2O3 MolecularWeight: 524.24556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)Br)Br

InChI

InChI=1S/C22H24Br2N2O3/c1-15-12-16(23)13-18(24)21(15)29-14-20(27)25-19-9-5-4-8-17(19)22(28)26-10-6-2-3-7-11-26/h4-5,8-9,12-13H,2-3,6-7,10-11,14H2,1H3,(H,25,27)