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

Systemtic Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-yl-phenyl]piperazin-1-yl]ethanenitrile hydrochloride Openeye Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-yl-phenyl]piperazin-1-yl]acetonitrile hydrochloride CAS Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-(1-pyrrolidinyl)phenyl]-1-piperazinyl]acetonitrile hydrochloride IUPAC Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazin-1-yl]acetonitrile hydrochloride Traditional Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidino-phenyl]piperazino]acetonitrile hydrochloride Formula: C24H37ClN4 MolecularWeight: 417.03038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCCC3)N4CCN(CC4)CC#N)C.Cl

Isomeric SMILES

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCCC3)N4CCN(CC4)CC#N)C.Cl

InChI

InChI=1S/C24H36N4.ClH/c1-24(2)9-7-20(8-10-24)22-19-21(27-12-3-4-13-27)5-6-23(22)28-17-15-26(14-11-25)16-18-28;/h5-6,19-20H,3-4,7-10,12-18H2,1-2H3;1H