N-(3-azanyl-2,2-dimethyl-propyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]cyclohexanecarboxamide

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]cyclohexanecarboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclohexanecarboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]cyclohexanecarboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclohexanecarboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-N-[2-chloro-5-[(2-phenoxyacetyl)amino]benzyl]cyclohexanecarboxamide Formula: C27H36ClN3O3 MolecularWeight: 486.04604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2)Cl)C(=O)C3CCCCC3

Isomeric SMILES

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2)Cl)C(=O)C3CCCCC3

InChI

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