3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl adamantane-1-carboxylate dihydrochloride

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl adamantane-1-carboxylate dihydrochloride Openeye Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl adamantane-1-carboxylate dihydrochloride CAS Name: 1-adamantanecarboxylic acid 3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl ester dihydrochloride IUPAC Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl adamantane-1-carboxylate dihydrochloride Traditional Name: adamantane-1-carboxylic acid 3-[4-(2-pyrimidyl)piperazino]propyl ester dihydrochloride Formula: C22H34Cl2N4O2 MolecularWeight: 457.43696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCOC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5.Cl.Cl

InChI

InChI=1S/C22H32N4O2.2ClH/c27-20(22-14-17-11-18(15-22)13-19(12-17)16-22)28-10-2-5-25-6-8-26(9-7-25)21-23-3-1-4-24-21;;/h1,3-4,17-19H,2,5-16H2;2*1H