N-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]hexanamide hydrochloride

Systemtic Name: N-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]hexanamide hydrochloride Openeye Name: N-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-cyano-phenyl]hexanamide hydrochloride CAS Name: N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-cyanophenyl]hexanamide hydrochloride IUPAC Name: N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-cyanophenyl]hexanamide hydrochloride Traditional Name: N-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-cyano-phenyl]hexanamide hydrochloride Formula: C20H32ClN3O3 MolecularWeight: 397.93938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C#N.Cl

Isomeric SMILES

CCCCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C#N.Cl

InChI

InChI=1S/C20H31N3O3.ClH/c1-5-6-7-8-19(25)23-16-9-10-18(15(11-16)12-21)26-14-17(24)13-22-20(2,3)4;/h9-11,17,22,24H,5-8,13-14H2,1-4H3,(H,23,25);1H