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

Systemtic Name: 2-[3-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]phenyl]ethanenitrile Openeye Name: 2-[3-[2-[2-(1-piperidyl)pyrimidin-5-yl]ethynyl]phenyl]acetonitrile CAS Name: 2-[3-[2-[2-(1-piperidinyl)-5-pyrimidinyl]ethynyl]phenyl]acetonitrile IUPAC Name: 2-[3-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]phenyl]acetonitrile Traditional Name: 2-[3-[2-(2-piperidinopyrimidin-5-yl)ethynyl]phenyl]acetonitrile Formula: C19H18N4 MolecularWeight: 302.37302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4/c20-10-9-17-6-4-5-16(13-17)7-8-18-14-21-19(22-15-18)23-11-2-1-3-12-23/h4-6,13-15H,1-3,9,11-12H2