N-[4-[[(2-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-3-fluoro-benzamide CAS Name: N-[4-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide Traditional Name: N-[4-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-3-fluoro-benzamide Formula: C27H28FN3O2 MolecularWeight: 445.528523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28FN3O2/c28-22-10-6-9-21(17-22)26(32)30-23-15-13-19(14-16-23)18-31(25-12-5-4-11-24(25)29)27(33)20-7-2-1-3-8-20/h1-3,6-10,13-17,24-25H,4-5,11-12,18,29H2,(H,30,32)