4-[2-[2-tert-butyl-4-(3-phenylpropanoyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-tert-butyl-4-(3-phenylpropanoyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-[2-tert-butyl-4-(3-phenylpropanoyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile CAS Name: 4-[2-[2-tert-butyl-4-(1-oxo-3-phenylpropyl)-1-piperazinyl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile IUPAC Name: 4-[2-[2-tert-butyl-4-(3-phenylpropanoyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Traditional Name: 4-[2-(2-tert-butyl-4-hydrocinnamoyl-piperazino)-2-(1H-imidazol-5-yl)ethyl]benzonitrile Formula: C29H35N5O MolecularWeight: 469.6211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H35N5O/c1-29(2,3)27-20-33(28(35)14-13-22-7-5-4-6-8-22)15-16-34(27)26(25-19-31-21-32-25)17-23-9-11-24(18-30)12-10-23/h4-12,19,21,26-27H,13-17,20H2,1-3H3,(H,31,32)