4-[[4-(5-azanyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-azanyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(5-amino-1H-1,2,4-triazol-3-yl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazino]methyl]benzonitrile Formula: C14H17N7 MolecularWeight: 283.33168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=NNC(=N3)N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=NNC(=N3)N

InChI

InChI=1S/C14H17N7/c15-9-11-1-3-12(4-2-11)10-20-5-7-21(8-6-20)14-17-13(16)18-19-14/h1-4H,5-8,10H2,(H3,16,17,18,19)