N-(1-adamantyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide trihydrochloride

Systemtic Name: N-(1-adamantyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide trihydrochloride Openeye Name: N-(1-adamantyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide trihydrochloride CAS Name: N-(1-adamantyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide trihydrochloride IUPAC Name: N-(1-adamantyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide trihydrochloride Traditional Name: N-(1-adamantyl)-3-[4-(2-pyrimidyl)piperazino]propionamide trihydrochloride Formula: C21H34Cl3N5O MolecularWeight: 478.88656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5.Cl.Cl.Cl

InChI

InChI=1S/C21H31N5O.3ClH/c27-19(24-21-13-16-10-17(14-21)12-18(11-16)15-21)2-5-25-6-8-26(9-7-25)20-22-3-1-4-23-20;;;/h1,3-4,16-18H,2,5-15H2,(H,24,27);3*1H