4-[[4-[2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-(1,2,4-triazol-1-yl)propyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(1,2,4-triazol-1-yl)propanoyl]piperazino]methyl]benzonitrile Formula: C17H20N6O MolecularWeight: 324.3803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)N3C=NC=N3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)N3C=NC=N3

InChI

InChI=1S/C17H20N6O/c1-14(23-13-19-12-20-23)17(24)22-8-6-21(7-9-22)11-16-4-2-15(10-18)3-5-16/h2-5,12-14H,6-9,11H2,1H3