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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-(2-phenoxyethanoylamino)phenyl]methyl]cyclohexanecarboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclohexanecarboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]cyclohexanecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclohexanecarboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[(2-phenoxyacetyl)amino]benzyl]cyclohexanecarboxamide Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O3/c29-23-14-16-25(17-15-23)31(28(33)22-9-3-1-4-10-22)19-21-8-7-11-24(18-21)30-27(32)20-34-26-12-5-2-6-13-26/h2,5-8,11-13,18,22-23,25H,1,3-4,9-10,14-17,19-20,29H2,(H,30,32)