3-[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]benzonitrile Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=NO2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCC1C2=NC(=NO2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C22H18N4O4/c23-12-14-2-1-3-17(10-14)22(27)26-8-6-15(7-9-26)21-24-20(25-30-21)16-4-5-18-19(11-16)29-13-28-18/h1-5,10-11,15H,6-9,13H2