N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide Openeye Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide CAS Name: N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide Traditional Name: N-[3-[4-(2-pyrimidyl)piperazino]propyl]adamantane-1-carboxamide Formula: C22H33N5O MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5

InChI

InChI=1S/C22H33N5O/c28-20(22-14-17-11-18(15-22)13-19(12-17)16-22)23-5-2-6-26-7-9-27(10-8-26)21-24-3-1-4-25-21/h1,3-4,17-19H,2,5-16H2,(H,23,28)