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

Systemtic Name: N-(2-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]cyclohexanecarboxamide Openeye Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclohexanecarboxamide CAS Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]cyclohexanecarboxamide IUPAC Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclohexanecarboxamide Traditional Name: N-(2-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)C4CCCCC4N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)Cl)C4CCCCC4N

InChI

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