5-[(1-butylpiperidin-4-yl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile hydrochloride

Systemtic Name: 5-[(1-butylpiperidin-4-yl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile hydrochloride Openeye Name: 5-[(1-butyl-4-piperidyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile hydrochloride CAS Name: 5-[(1-butyl-4-piperidinyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile hydrochloride IUPAC Name: 5-[(1-butylpiperidin-4-yl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile hydrochloride Traditional Name: 5-[(1-butyl-4-piperidyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile hydrochloride Formula: C25H42ClN3O2 MolecularWeight: 452.07288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)NCCCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C.Cl

Isomeric SMILES

CCCCN1CCC(CC1)NCCCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C.Cl

InChI

InChI=1S/C25H41N3O2.ClH/c1-6-7-15-28-16-11-22(12-17-28)27-14-8-13-25(19-26,20(2)3)21-9-10-23(29-4)24(18-21)30-5;/h9-10,18,20,22,27H,6-8,11-17H2,1-5H3;1H