5-(4-butyl-4-oxidanyl-piperidin-1-yl)-2,2-diphenyl-pentanenitrile hydrochloride

Systemtic Name: 5-(4-butyl-4-oxidanyl-piperidin-1-yl)-2,2-diphenyl-pentanenitrile hydrochloride Openeye Name: 5-(4-butyl-4-hydroxy-1-piperidyl)-2,2-diphenyl-pentanenitrile hydrochloride CAS Name: 5-(4-butyl-4-hydroxy-1-piperidinyl)-2,2-diphenylpentanenitrile hydrochloride IUPAC Name: 5-(4-butyl-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile hydrochloride Traditional Name: 5-(4-butyl-4-hydroxy-piperidino)-2,2-diphenyl-valeronitrile hydrochloride Formula: C26H35ClN2O MolecularWeight: 427.0219

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCN(CC1)CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl

Isomeric SMILES

CCCCC1(CCN(CC1)CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C26H34N2O.ClH/c1-2-3-15-25(29)17-20-28(21-18-25)19-10-16-26(22-27,23-11-6-4-7-12-23)24-13-8-5-9-14-24;/h4-9,11-14,29H,2-3,10,15-21H2,1H3;1H