3-[5-[1-(pyrimidin-4-ylmethyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenecarbonitrile

Systemtic Name: 3-[5-[1-(pyrimidin-4-ylmethyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenecarbonitrile Openeye Name: 3-[5-[1-(pyrimidin-4-ylmethyl)-2-piperidyl]-1,2,4-oxadiazol-3-yl]benzonitrile CAS Name: 3-[5-[1-(4-pyrimidinylmethyl)-2-piperidinyl]-1,2,4-oxadiazol-3-yl]benzonitrile IUPAC Name: 3-[5-[1-(pyrimidin-4-ylmethyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile Traditional Name: 3-[5-[1-(4-pyrimidylmethyl)-2-piperidyl]-1,2,4-oxadiazol-3-yl]benzonitrile Formula: C19H18N6O MolecularWeight: 346.38582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC(=NO2)C3=CC=CC(=C3)C#N)CC4=NC=NC=C4

Isomeric SMILES

C1CCN(C(C1)C2=NC(=NO2)C3=CC=CC(=C3)C#N)CC4=NC=NC=C4

InChI

InChI=1S/C19H18N6O/c20-11-14-4-3-5-15(10-14)18-23-19(26-24-18)17-6-1-2-9-25(17)12-16-7-8-21-13-22-16/h3-5,7-8,10,13,17H,1-2,6,9,12H2