1-pyridin-4-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 1-pyridin-4-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 1-(4-pyridyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one CAS Name: 1-pyridin-4-yl-4-[4-(2-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-pyridin-4-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 1-(4-pyridyl)-4-[4-(2-pyrimidyl)piperazino]butan-1-one Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=NC=C2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=NC=C2)C3=NC=CC=N3

InChI

InChI=1S/C17H21N5O/c23-16(15-4-8-18-9-5-15)3-1-10-21-11-13-22(14-12-21)17-19-6-2-7-20-17/h2,4-9H,1,3,10-14H2