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

Systemtic Name: 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]benzenecarbonitrile Openeye Name: 4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzonitrile CAS Name: 4-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzonitrile Traditional Name: 4-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]benzonitrile Formula: C22H19N5O MolecularWeight: 369.41916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H19N5O/c23-16-17-2-4-18(5-3-17)19-6-8-20(9-7-19)21(28)26-12-14-27(15-13-26)22-24-10-1-11-25-22/h1-11H,12-15H2