3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]octan-2-one

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]octan-2-one Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]octan-2-one CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-octanone IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]octan-2-one Traditional Name: 3-[[4-(2-pyrimidyl)piperazino]methyl]octan-2-one Formula: C17H28N4O MolecularWeight: 304.43042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CN1CCN(CC1)C2=NC=CC=N2)C(=O)C

Isomeric SMILES

CCCCCC(CN1CCN(CC1)C2=NC=CC=N2)C(=O)C

InChI

InChI=1S/C17H28N4O/c1-3-4-5-7-16(15(2)22)14-20-10-12-21(13-11-20)17-18-8-6-9-19-17/h6,8-9,16H,3-5,7,10-14H2,1-2H3