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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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