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

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-5-bromanyl-2-phenethyloxy-benzamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-5-bromo-2-phenethyloxybenzamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-5-bromo-2-phenethyloxybenzamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-5-bromo-2-phenethyloxy-benzamide Formula: C28H29BrN2O3 MolecularWeight: 521.44546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C28H29BrN2O3/c29-23-12-15-26(34-19-16-21-8-4-3-5-9-21)25(20-23)27(32)30-24-13-10-22(11-14-24)28(33)31-17-6-1-2-7-18-31/h3-5,8-15,20H,1-2,6-7,16-19H2,(H,30,32)