2-(3-bromanyl-1-adamantyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]acetamide Formula: C23H34BrN5O MolecularWeight: 476.45296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCNC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C5=NC=CC=N5

InChI

InChI=1S/C23H34BrN5O/c24-23-14-18-11-19(15-23)13-22(12-18,17-23)16-20(30)25-5-2-6-28-7-9-29(10-8-28)21-26-3-1-4-27-21/h1,3-4,18-19H,2,5-17H2,(H,25,30)