4-[[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(1-phenylpyrazol-4-yl)methyl]piperazino]methyl]benzonitrile Formula: C22H23N5 MolecularWeight: 357.45152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5/c23-14-19-6-8-20(9-7-19)16-25-10-12-26(13-11-25)17-21-15-24-27(18-21)22-4-2-1-3-5-22/h1-9,15,18H,10-13,16-17H2