N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-3-fluoranyl-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-[(2-phenoxyacetyl)amino]benzyl]-3-fluoro-benzamide Formula: C28H29ClFN3O3 MolecularWeight: 509.999563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)Cl)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)Cl)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C28H29ClFN3O3/c29-26-14-11-23(32-27(34)18-36-25-7-2-1-3-8-25)16-20(26)17-33(24-12-9-22(31)10-13-24)28(35)19-5-4-6-21(30)15-19/h1-8,11,14-16,22,24H,9-10,12-13,17-18,31H2,(H,32,34)