2-[[2,4-bis(fluoranyl)phenyl]amino]-5-fluoranyl-6-piperazin-1-yl-pyridine-3-carboxylic acid

Systemtic Name: 2-[[2,4-bis(fluoranyl)phenyl]amino]-5-fluoranyl-6-piperazin-1-yl-pyridine-3-carboxylic acid Openeye Name: 2-(2,4-difluoroanilino)-5-fluoro-6-piperazin-1-yl-pyridine-3-carboxylic acid CAS Name: 2-(2,4-difluoroanilino)-5-fluoro-6-(1-piperazinyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(2,4-difluoroanilino)-5-fluoro-6-piperazin-1-ylpyridine-3-carboxylic acid Traditional Name: 2-(2,4-difluoroanilino)-5-fluoro-6-piperazino-nicotinic acid Formula: C16H15F3N4O2 MolecularWeight: 352.31111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C(=N2)NC3=C(C=C(C=C3)F)F)C(=O)O)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C(=N2)NC3=C(C=C(C=C3)F)F)C(=O)O)F

InChI

InChI=1S/C16H15F3N4O2/c17-9-1-2-13(11(18)7-9)21-14-10(16(24)25)8-12(19)15(22-14)23-5-3-20-4-6-23/h1-2,7-8,20H,3-6H2,(H,21,22)(H,24,25)