N-[(5-acetamido-2-chloranyl-phenyl)methyl]-N-(4-azanylcyclohexyl)cyclohexanecarboxamide

Systemtic Name: N-[(5-acetamido-2-chloranyl-phenyl)methyl]-N-(4-azanylcyclohexyl)cyclohexanecarboxamide Openeye Name: N-[(5-acetamido-2-chloro-phenyl)methyl]-N-(4-aminocyclohexyl)cyclohexanecarboxamide CAS Name: N-[(5-acetamido-2-chlorophenyl)methyl]-N-(4-aminocyclohexyl)cyclohexanecarboxamide IUPAC Name: N-[(5-acetamido-2-chlorophenyl)methyl]-N-(4-aminocyclohexyl)cyclohexanecarboxamide Traditional Name: N-(5-acetamido-2-chloro-benzyl)-N-(4-aminocyclohexyl)cyclohexanecarboxamide Formula: C22H32ClN3O2 MolecularWeight: 405.96138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCC(CC2)N)C(=O)C3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCC(CC2)N)C(=O)C3CCCCC3

InChI

InChI=1S/C22H32ClN3O2/c1-15(27)25-19-9-12-21(23)17(13-19)14-26(20-10-7-18(24)8-11-20)22(28)16-5-3-2-4-6-16/h9,12-13,16,18,20H,2-8,10-11,14,24H2,1H3,(H,25,27)