N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]cyclohexanecarboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]cyclohexanecarboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclohexanecarboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]cyclohexanecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclohexanecarboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-[(2-phenoxyacetyl)amino]benzyl]cyclohexanecarboxamide Formula: C28H36ClN3O3 MolecularWeight: 498.05674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)Cl)C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)Cl)C4CCC(CC4)N

InChI

InChI=1S/C28H36ClN3O3/c29-26-16-13-23(31-27(33)19-35-25-9-5-2-6-10-25)17-21(26)18-32(24-14-11-22(30)12-15-24)28(34)20-7-3-1-4-8-20/h2,5-6,9-10,13,16-17,20,22,24H,1,3-4,7-8,11-12,14-15,18-19,30H2,(H,31,33)