4-[3-[(3-chloranyl-2-fluoranyl-phenyl)carbonylamino]-2-cyano-phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[3-[(3-chloranyl-2-fluoranyl-phenyl)carbonylamino]-2-cyano-phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[3-[(3-chloro-2-fluoro-benzoyl)amino]-2-cyano-phenyl]piperazine-1-carboxylic acid CAS Name: 4-[3-[[(3-chloro-2-fluorophenyl)-oxomethyl]amino]-2-cyanophenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-[(3-chloro-2-fluorobenzoyl)amino]-2-cyanophenyl]piperazine-1-carboxylic acid Traditional Name: 4-[3-[(3-chloro-2-fluoro-benzoyl)amino]-2-cyano-phenyl]piperazine-1-carboxylic acid Formula: C19H16ClFN4O3 MolecularWeight: 402.806743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)NC(=O)C3=C(C(=CC=C3)Cl)F)C#N)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)NC(=O)C3=C(C(=CC=C3)Cl)F)C#N)C(=O)O

InChI

InChI=1S/C19H16ClFN4O3/c20-14-4-1-3-12(17(14)21)18(26)23-15-5-2-6-16(13(15)11-22)24-7-9-25(10-8-24)19(27)28/h1-6H,7-10H2,(H,23,26)(H,27,28)