N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-3,3-dimethyl-butanamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-3,3-dimethyl-butanamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-3,3-dimethyl-butanamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]-3,3-dimethylbutanamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-3,3-dimethylbutanamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-[(2-phenoxyacetyl)amino]benzyl]-3,3-dimethyl-butyramide Formula: C27H36ClN3O3 MolecularWeight: 486.04604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2)Cl)C3CCC(CC3)N

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2)Cl)C3CCC(CC3)N

InChI

InChI=1S/C27H36ClN3O3/c1-27(2,3)16-26(33)31(22-12-9-20(29)10-13-22)17-19-15-21(11-14-24(19)28)30-25(32)18-34-23-7-5-4-6-8-23/h4-8,11,14-15,20,22H,9-10,12-13,16-18,29H2,1-3H3,(H,30,32)