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

Systemtic Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-yl-phenyl]piperazin-1-yl]butan-2-one hydrochloride Openeye Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-yl-phenyl]piperazin-1-yl]butan-2-one hydrochloride CAS Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-(1-pyrrolidinyl)phenyl]-1-piperazinyl]-2-butanone hydrochloride IUPAC Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazin-1-yl]butan-2-one hydrochloride Traditional Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidino-phenyl]piperazino]butan-2-one hydrochloride Formula: C26H42ClN3O MolecularWeight: 448.08418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)N3CCCC3)C4CCC(CC4)(C)C.Cl

Isomeric SMILES

CCC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)N3CCCC3)C4CCC(CC4)(C)C.Cl

InChI

InChI=1S/C26H41N3O.ClH/c1-4-23(30)20-27-15-17-29(18-16-27)25-8-7-22(28-13-5-6-14-28)19-24(25)21-9-11-26(2,3)12-10-21;/h7-8,19,21H,4-6,9-18,20H2,1-3H3;1H