4-(2-cyanophenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(2-cyanophenyl)piperazine-1-carboxylic acid Openeye Name: 4-(2-cyanophenyl)piperazine-1-carboxylic acid CAS Name: 4-(2-cyanophenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(2-cyanophenyl)piperazine-1-carboxylic acid Traditional Name: 4-(2-cyanophenyl)piperazine-1-carboxylic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)O

InChI

InChI=1S/C12H13N3O2/c13-9-10-3-1-2-4-11(10)14-5-7-15(8-6-14)12(16)17/h1-4H,5-8H2,(H,16,17)