4-(3-azanyl-2-cyano-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(3-azanyl-2-cyano-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(3-amino-2-cyano-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(3-amino-2-cyanophenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-amino-2-cyanophenyl)piperazine-1-carboxylic acid Traditional Name: 4-(3-amino-2-cyano-phenyl)piperazine-1-carboxylic acid Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)N)C#N)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)N)C#N)C(=O)O

InChI

InChI=1S/C12H14N4O2/c13-8-9-10(14)2-1-3-11(9)15-4-6-16(7-5-15)12(17)18/h1-3H,4-7,14H2,(H,17,18)