4-(4-cyano-3-fluoranyl-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(4-cyano-3-fluoranyl-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(4-cyano-3-fluoro-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(4-cyano-3-fluorophenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(4-cyano-3-fluorophenyl)piperazine-1-carboxylic acid Traditional Name: 4-(4-cyano-3-fluoro-phenyl)piperazine-1-carboxylic acid Formula: C12H12FN3O2 MolecularWeight: 249.240983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12FN3O2/c13-11-7-10(2-1-9(11)8-14)15-3-5-16(6-4-15)12(17)18/h1-2,7H,3-6H2,(H,17,18)