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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-N-[[2-chloranyl-5-(2-phenylethanoylamino)phenyl]methyl]cyclohexanecarboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-N-[[2-chloro-5-[(2-phenylacetyl)amino]phenyl]methyl]cyclohexanecarboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-[(1-oxo-2-phenylethyl)amino]phenyl]methyl]cyclohexanecarboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-[(2-phenylacetyl)amino]phenyl]methyl]cyclohexanecarboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-N-[2-chloro-5-[(2-phenylacetyl)amino]benzyl]cyclohexanecarboxamide Formula: C27H36ClN3O2 MolecularWeight: 470.04664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)CC2=CC=CC=C2)Cl)C(=O)C3CCCCC3

Isomeric SMILES

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)CC2=CC=CC=C2)Cl)C(=O)C3CCCCC3

InChI

InChI=1S/C27H36ClN3O2/c1-27(2,18-29)19-31(26(33)21-11-7-4-8-12-21)17-22-16-23(13-14-24(22)28)30-25(32)15-20-9-5-3-6-10-20/h3,5-6,9-10,13-14,16,21H,4,7-8,11-12,15,17-19,29H2,1-2H3,(H,30,32)