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

Systemtic Name: 2-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(2-pyrimidyl)piperazino]methyl]phenyl]benzonitrile Formula: C22H21N5 MolecularWeight: 355.43564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=NC=CC=N4

InChI

InChI=1S/C22H21N5/c23-16-20-4-1-2-5-21(20)19-8-6-18(7-9-19)17-26-12-14-27(15-13-26)22-24-10-3-11-25-22/h1-11H,12-15,17H2