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

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

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)Cl)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)Cl)C(=O)C4=CC(=CC=C4)F

InChI

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