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

Systemtic Name: N-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide dichloride Openeye Name: N-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide dichloride CAS Name: N-methyl-N-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-adamantanecarboxamide dichloride IUPAC Name: N-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide dichloride Traditional Name: N-methyl-N-[2-[4-(2-pyrimidyl)piperazino]ethyl]adamantane-1-carboxamide dichloride Formula: C22H33Cl2N5O-2 MolecularWeight: 454.43632

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCN(CC1)C2=NC=CC=N2)C(=O)C34CC5CC(C3)CC(C5)C4.[Cl-].[Cl-]

Isomeric SMILES

CN(CCN1CCN(CC1)C2=NC=CC=N2)C(=O)C34CC5CC(C3)CC(C5)C4.[Cl-].[Cl-]

InChI

InChI=1S/C22H33N5O.2ClH/c1-25(20(28)22-14-17-11-18(15-22)13-19(12-17)16-22)5-6-26-7-9-27(10-8-26)21-23-3-2-4-24-21;;/h2-4,17-19H,5-16H2,1H3;2*1H/p-2