N-[2-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-fluoro-benzamide CAS Name: N-[2-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[2-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-fluorobenzamide Traditional Name: N-[2-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-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=CC=C2NC(=O)C3=CC=C(C=C3)F)C4CCCCC4N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F)C4CCCCC4N

InChI

InChI=1S/C27H34FN3O2/c28-22-16-14-19(15-17-22)26(32)30-24-12-6-4-10-21(24)18-31(25-13-7-5-11-23(25)29)27(33)20-8-2-1-3-9-20/h4,6,10,12,14-17,20,23,25H,1-3,5,7-9,11,13,18,29H2,(H,30,32)