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

Systemtic Name: 4-[[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazino]methyl]benzonitrile Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H22N6O/c23-13-18-1-3-19(4-2-18)14-26-9-11-27(12-10-26)22(29)21-7-5-20(6-8-21)15-28-17-24-16-25-28/h1-8,16-17H,9-12,14-15H2