3-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]benzenecarbonitrile

Systemtic Name: 3-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]benzenecarbonitrile Openeye Name: 3-[2-[2-(1-piperidyl)pyrimidin-5-yl]ethynyl]benzonitrile CAS Name: 3-[2-[2-(1-piperidinyl)-5-pyrimidinyl]ethynyl]benzonitrile IUPAC Name: 3-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]benzonitrile Traditional Name: 3-[2-(2-piperidinopyrimidin-5-yl)ethynyl]benzonitrile Formula: C18H16N4 MolecularWeight: 288.34644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C=N2)C#CC3=CC(=CC=C3)C#N

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C=N2)C#CC3=CC(=CC=C3)C#N

InChI

InChI=1S/C18H16N4/c19-12-16-6-4-5-15(11-16)7-8-17-13-20-18(21-14-17)22-9-2-1-3-10-22/h4-6,11,13-14H,1-3,9-10H2