3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[oxo-[4-[3-(trifluoromethyl)-1-pyrazolyl]anilino]methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazinoic acid Formula: C16H10F3N5O3 MolecularWeight: 377.27751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=NC=CN=C2C(=O)O)N3C=CC(=N3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=NC=CN=C2C(=O)O)N3C=CC(=N3)C(F)(F)F

InChI

InChI=1S/C16H10F3N5O3/c17-16(18,19)11-5-8-24(23-11)10-3-1-9(2-4-10)22-14(25)12-13(15(26)27)21-7-6-20-12/h1-8H,(H,22,25)(H,26,27)