4-[[4-[2-(1,2,4-triazol-1-yl)pyridin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(1,2,4-triazol-1-yl)pyridin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(1,2,4-triazol-1-yl)nicotinoyl]piperazino]methyl]benzonitrile Formula: C20H19N7O MolecularWeight: 373.41116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(N=CC=C3)N4C=NC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(N=CC=C3)N4C=NC=N4

InChI

InChI=1S/C20H19N7O/c21-12-16-3-5-17(6-4-16)13-25-8-10-26(11-9-25)20(28)18-2-1-7-23-19(18)27-15-22-14-24-27/h1-7,14-15H,8-11,13H2