N-[4-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-fluoro-benzamide CAS Name: N-[4-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-fluorobenzamide Traditional Name: N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-fluoro-benzamide Formula: C27H34FN3O2 MolecularWeight: 451.576163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C4CCC(CC4)N

InChI

InChI=1S/C27H34FN3O2/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/h4,7-10,13-14,17,20,23,25H,1-3,5-6,11-12,15-16,18,29H2,(H,30,32)