N-[4-[[(2-azanylcyclohexyl)-ethanoyl-amino]methyl]phenyl]-2-bromanyl-benzamide

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-ethanoyl-amino]methyl]phenyl]-2-bromanyl-benzamide Openeye Name: N-[4-[[acetyl-(2-aminocyclohexyl)amino]methyl]phenyl]-2-bromo-benzamide CAS Name: N-[4-[[acetyl-(2-aminocyclohexyl)amino]methyl]phenyl]-2-bromobenzamide IUPAC Name: N-[4-[[acetyl-(2-aminocyclohexyl)amino]methyl]phenyl]-2-bromobenzamide Traditional Name: N-[4-[[acetyl-(2-aminocyclohexyl)amino]methyl]phenyl]-2-bromo-benzamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Br)C3CCCCC3N

Isomeric SMILES

CC(=O)N(CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Br)C3CCCCC3N

InChI

InChI=1S/C22H26BrN3O2/c1-15(27)26(21-9-5-4-8-20(21)24)14-16-10-12-17(13-11-16)25-22(28)18-6-2-3-7-19(18)23/h2-3,6-7,10-13,20-21H,4-5,8-9,14,24H2,1H3,(H,25,28)