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

Systemtic Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1,2-dicarboxylic acid Openeye Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1,2-dicarboxylic acid CAS Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1,2-dicarboxylic acid IUPAC Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1,2-dicarboxylic acid Traditional Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1,2-dicarboxylic acid Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C(=O)O)C(=O)O

Isomeric SMILES

C1CN(C(CN1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H19N5O4/c19-8-13-3-1-12(2-4-13)7-15(14-9-20-11-21-14)22-5-6-23(18(26)27)16(10-22)17(24)25/h1-4,9,11,15-16H,5-7,10H2,(H,20,21)(H,24,25)(H,26,27)