N-[4-(azepan-1-ylcarbonyl)phenyl]-5-bromanyl-2-(3-methylbutoxy)benzamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-5-bromanyl-2-(3-methylbutoxy)benzamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-5-bromo-2-isopentyloxy-benzamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-5-bromo-2-(3-methylbutoxy)benzamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-5-bromo-2-(3-methylbutoxy)benzamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-5-bromo-2-isoamoxy-benzamide Formula: C25H31BrN2O3 MolecularWeight: 487.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C25H31BrN2O3/c1-18(2)13-16-31-23-12-9-20(26)17-22(23)24(29)27-21-10-7-19(8-11-21)25(30)28-14-5-3-4-6-15-28/h7-12,17-18H,3-6,13-16H2,1-2H3,(H,27,29)