4-[[4-[(1-phenyl-1,2,3-triazol-4-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(1-phenyl-1,2,3-triazol-4-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-phenyltriazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(1-phenyl-4-triazolyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-phenyltriazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-phenyltriazole-4-carbonyl)piperazino]methyl]benzonitrile Formula: C21H20N6O MolecularWeight: 372.4231

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CN(N=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CN(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6O/c22-14-17-6-8-18(9-7-17)15-25-10-12-26(13-11-25)21(28)20-16-27(24-23-20)19-4-2-1-3-5-19/h1-9,16H,10-13,15H2