3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylbenzenecarbonitrile

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylbenzenecarbonitrile Openeye Name: 3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzonitrile CAS Name: 3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzonitrile Traditional Name: 3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzonitrile Formula: C16H15N5O MolecularWeight: 293.3232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H15N5O/c17-12-13-3-1-4-14(11-13)15(22)20-7-9-21(10-8-20)16-18-5-2-6-19-16/h1-6,11H,7-10H2