3-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(1-phenethyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]benzonitrile CAS Name: 3-[(1-phenethyl-5-tetrazolyl)-(4-phenyl-1-piperazinyl)methyl]benzonitrile IUPAC Name: 3-[(1-phenethyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]benzonitrile Traditional Name: 3-[(1-phenethyltetrazol-5-yl)-(4-phenylpiperazino)methyl]benzonitrile Formula: C27H27N7 MolecularWeight: 449.55018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(C3=CC=CC(=C3)C#N)C4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(C3=CC=CC(=C3)C#N)C4=NN=NN4CCC5=CC=CC=C5

InChI

InChI=1S/C27H27N7/c28-21-23-10-7-11-24(20-23)26(33-18-16-32(17-19-33)25-12-5-2-6-13-25)27-29-30-31-34(27)15-14-22-8-3-1-4-9-22/h1-13,20,26H,14-19H2