5-[4-(butylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-5-oxidanylidene-2-propan-2-yl-pentanenitrile chloride

Systemtic Name: 5-[4-(butylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-5-oxidanylidene-2-propan-2-yl-pentanenitrile chloride Openeye Name: 5-[4-(butylamino)-1-piperidyl]-2-(3,4-dimethoxyphenyl)-2-isopropyl-5-oxo-pentanenitrile chloride CAS Name: 5-[4-(butylamino)-1-piperidinyl]-2-(3,4-dimethoxyphenyl)-5-oxo-2-propan-2-ylpentanenitrile chloride IUPAC Name: 5-[4-(butylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-5-oxo-2-propan-2-ylpentanenitrile chloride Traditional Name: 5-[4-(butylamino)piperidino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-5-keto-valeronitrile chloride Formula: C25H39ClN3O3- MolecularWeight: 465.04846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CCN(CC1)C(=O)CCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C.[Cl-]

Isomeric SMILES

CCCCNC1CCN(CC1)C(=O)CCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C.[Cl-]

InChI

InChI=1S/C25H39N3O3.ClH/c1-6-7-14-27-21-11-15-28(16-12-21)24(29)10-13-25(18-26,19(2)3)20-8-9-22(30-4)23(17-20)31-5;/h8-9,17,19,21,27H,6-7,10-16H2,1-5H3;1H/p-1