2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzonitrile CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzonitrile Traditional Name: 2-[[4-(2-pyrimidyl)piperazino]methyl]benzonitrile Formula: C16H17N5 MolecularWeight: 279.33968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C#N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C#N)C3=NC=CC=N3

InChI

InChI=1S/C16H17N5/c17-12-14-4-1-2-5-15(14)13-20-8-10-21(11-9-20)16-18-6-3-7-19-16/h1-7H,8-11,13H2