N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide dihydrochloride

Systemtic Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide dihydrochloride Openeye Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide dihydrochloride CAS Name: N-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-adamantanecarboxamide dihydrochloride IUPAC Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide dihydrochloride Traditional Name: N-[2-[4-(2-pyrimidyl)piperazino]ethyl]adamantane-1-carboxamide dihydrochloride Formula: C21H33Cl2N5O MolecularWeight: 442.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5.Cl.Cl

InChI

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