4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylic acid CAS Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylic acid Formula: C17H19N5O2 MolecularWeight: 325.36506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2/c18-10-14-3-1-13(2-4-14)9-16(15-11-19-12-20-15)21-5-7-22(8-6-21)17(23)24/h1-4,11-12,16H,5-9H2,(H,19,20)(H,23,24)