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

Systemtic Name: N-(2-azanylcyclohexyl)-3-fluoranyl-N-[[4-(2-phenoxyethanoylamino)phenyl]methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-fluoro-N-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-fluoro-N-[[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-fluoro-N-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-fluoro-N-[4-[(2-phenoxyacetyl)amino]benzyl]benzamide Formula: C28H30FN3O3 MolecularWeight: 475.554503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30FN3O3/c29-22-8-6-7-21(17-22)28(34)32(26-12-5-4-11-25(26)30)18-20-13-15-23(16-14-20)31-27(33)19-35-24-9-2-1-3-10-24/h1-3,6-10,13-17,25-26H,4-5,11-12,18-19,30H2,(H,31,33)