4-(4-cyano-3-fluoranyl-phenyl)-2,5-dimethyl-piperazine-1-carboxylic acid

Systemtic Name: 4-(4-cyano-3-fluoranyl-phenyl)-2,5-dimethyl-piperazine-1-carboxylic acid Openeye Name: 4-(4-cyano-3-fluoro-phenyl)-2,5-dimethyl-piperazine-1-carboxylic acid CAS Name: 4-(4-cyano-3-fluorophenyl)-2,5-dimethyl-1-piperazinecarboxylic acid IUPAC Name: 4-(4-cyano-3-fluorophenyl)-2,5-dimethylpiperazine-1-carboxylic acid Traditional Name: 4-(4-cyano-3-fluoro-phenyl)-2,5-dimethyl-piperazine-1-carboxylic acid Formula: C14H16FN3O2 MolecularWeight: 277.294143

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)O)C)C2=CC(=C(C=C2)C#N)F

Isomeric SMILES

CC1CN(C(CN1C(=O)O)C)C2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C14H16FN3O2/c1-9-8-18(14(19)20)10(2)7-17(9)12-4-3-11(6-16)13(15)5-12/h3-5,9-10H,7-8H2,1-2H3,(H,19,20)