2-[4-[2-(4,4-dimethylcyclohexyl)-4-piperidin-1-yl-phenyl]piperazin-1-yl]ethanenitrile hydrochloride

Systemtic Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-piperidin-1-yl-phenyl]piperazin-1-yl]ethanenitrile hydrochloride Openeye Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-(1-piperidyl)phenyl]piperazin-1-yl]acetonitrile hydrochloride CAS Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-(1-piperidinyl)phenyl]-1-piperazinyl]acetonitrile hydrochloride IUPAC Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-piperidin-1-ylphenyl]piperazin-1-yl]acetonitrile hydrochloride Traditional Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-piperidino-phenyl]piperazino]acetonitrile hydrochloride Formula: C25H39ClN4 MolecularWeight: 431.05696

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCCCC3)N4CCN(CC4)CC#N)C.Cl

Isomeric SMILES

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCCCC3)N4CCN(CC4)CC#N)C.Cl

InChI

InChI=1S/C25H38N4.ClH/c1-25(2)10-8-21(9-11-25)23-20-22(28-13-4-3-5-14-28)6-7-24(23)29-18-16-27(15-12-26)17-19-29;/h6-7,20-21H,3-5,8-11,13-19H2,1-2H3;1H