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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3.ClH/c1-6-14(7-2)19(25)23-16-8-9-18(15(10-16)11-21)26-13-17(24)12-22-20(3,4)5;/h8-10,14,17,22,24H,6-7,12-13H2,1-5H3,(H,23,25);1H