4-(4-cyanophenyl)carbonylpiperazine-1-carboxylic acid

Systemtic Name: 4-(4-cyanophenyl)carbonylpiperazine-1-carboxylic acid Openeye Name: 4-(4-cyanobenzoyl)piperazine-1-carboxylic acid CAS Name: 4-[(4-cyanophenyl)-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-(4-cyanobenzoyl)piperazine-1-carboxylic acid Traditional Name: 4-(4-cyanobenzoyl)piperazine-1-carboxylic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C13H13N3O3/c14-9-10-1-3-11(4-2-10)12(17)15-5-7-16(8-6-15)13(18)19/h1-4H,5-8H2,(H,18,19)