3-[4-(6-chloranylpyrazin-2-yl)piperazin-1-yl]propyl adamantane-1-carboxylate dihydrochloride

Systemtic Name: 3-[4-(6-chloranylpyrazin-2-yl)piperazin-1-yl]propyl adamantane-1-carboxylate dihydrochloride Openeye Name: 3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]propyl adamantane-1-carboxylate dihydrochloride CAS Name: 1-adamantanecarboxylic acid 3-[4-(6-chloro-2-pyrazinyl)-1-piperazinyl]propyl ester dihydrochloride IUPAC Name: 3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]propyl adamantane-1-carboxylate dihydrochloride Traditional Name: adamantane-1-carboxylic acid 3-[4-(6-chloropyrazin-2-yl)piperazino]propyl ester dihydrochloride Formula: C22H33Cl3N4O2 MolecularWeight: 491.88202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN4O2.2ClH/c23-19-14-24-15-20(25-19)27-5-3-26(4-6-27)2-1-7-29-21(28)22-11-16-8-17(12-22)10-18(9-16)13-22;;/h14-18H,1-13H2;2*1H