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

Systemtic Name: 4-[2-cyano-3-[(2-fluorophenyl)carbonylamino]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-cyano-3-[(2-fluorobenzoyl)amino]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-cyano-3-[[(2-fluorophenyl)-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-cyano-3-[(2-fluorobenzoyl)amino]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-cyano-3-[(2-fluorobenzoyl)amino]phenyl]piperazine-1-carboxylic acid Formula: C19H17FN4O3 MolecularWeight: 368.361683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)NC(=O)C3=CC=CC=C3F)C#N)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)NC(=O)C3=CC=CC=C3F)C#N)C(=O)O

InChI

InChI=1S/C19H17FN4O3/c20-15-5-2-1-4-13(15)18(25)22-16-6-3-7-17(14(16)12-21)23-8-10-24(11-9-23)19(26)27/h1-7H,8-11H2,(H,22,25)(H,26,27)