2-[4-[3-(1H-1,2,4-triazol-5-yl)phenyl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[3-(1H-1,2,4-triazol-5-yl)phenyl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[oxo-[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperazino]benzonitrile Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)C3=CC=CC(=C3)C4=NC=NN4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)C3=CC=CC(=C3)C4=NC=NN4

InChI

InChI=1S/C20H18N6O/c21-13-17-4-1-2-7-18(17)25-8-10-26(11-9-25)20(27)16-6-3-5-15(12-16)19-22-14-23-24-19/h1-7,12,14H,8-11H2,(H,22,23,24)