N-[4-[[(4-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-3-chloranyl-benzamide

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-3-chloranyl-benzamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-3-chloro-benzamide CAS Name: N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-chlorobenzamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-chlorobenzamide Traditional Name: N-[4-[[(4-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-3-chloro-benzamide Formula: C27H28ClN3O2 MolecularWeight: 461.98312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28ClN3O2/c28-22-8-4-7-21(17-22)26(32)30-24-13-9-19(10-14-24)18-31(25-15-11-23(29)12-16-25)27(33)20-5-2-1-3-6-20/h1-10,13-14,17,23,25H,11-12,15-16,18,29H2,(H,30,32)