N-(2-azanylcyclohexyl)-N-[[2-chloranyl-5-(3,3-dimethylbutanoylamino)phenyl]methyl]cyclohexanecarboxamide

Systemtic Name: N-(2-azanylcyclohexyl)-N-[[2-chloranyl-5-(3,3-dimethylbutanoylamino)phenyl]methyl]cyclohexanecarboxamide Openeye Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-(3,3-dimethylbutanoylamino)phenyl]methyl]cyclohexanecarboxamide CAS Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]methyl]cyclohexanecarboxamide IUPAC Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-(3,3-dimethylbutanoylamino)phenyl]methyl]cyclohexanecarboxamide Traditional Name: N-(2-aminocyclohexyl)-N-[2-chloro-5-(3,3-dimethylbutanoylamino)benzyl]cyclohexanecarboxamide Formula: C26H40ClN3O2 MolecularWeight: 462.0677

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCCCC2N)C(=O)C3CCCCC3

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCCCC2N)C(=O)C3CCCCC3

InChI

InChI=1S/C26H40ClN3O2/c1-26(2,3)16-24(31)29-20-13-14-21(27)19(15-20)17-30(23-12-8-7-11-22(23)28)25(32)18-9-5-4-6-10-18/h13-15,18,22-23H,4-12,16-17,28H2,1-3H3,(H,29,31)