N-[4-(azepan-1-yl)phenyl]-2-[(5-bromanylthiophen-2-yl)methyl-methyl-amino]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(5-bromanylthiophen-2-yl)methyl-methyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[(5-bromo-2-thienyl)methyl-methyl-amino]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(5-bromo-2-thiophenyl)methyl-methylamino]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(5-bromothiophen-2-yl)methyl-methylamino]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(5-bromo-2-thienyl)methyl-methyl-amino]acetamide Formula: C20H26BrN3OS MolecularWeight: 436.40894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Br)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=C(S1)Br)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H26BrN3OS/c1-23(14-18-10-11-19(21)26-18)15-20(25)22-16-6-8-17(9-7-16)24-12-4-2-3-5-13-24/h6-11H,2-5,12-15H2,1H3,(H,22,25)