3-[[4-(4-bromophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[4-(4-bromophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[4-(4-bromophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[[4-(4-bromophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[4-(4-bromophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[4-(4-bromophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazinoic acid Formula: C17H11BrF3N5O3 MolecularWeight: 470.20015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)Br)NC(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)Br)NC(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C17H11BrF3N5O3/c1-26-14(24-15(27)11-12(16(28)29)23-7-6-22-11)10(13(25-26)17(19,20)21)8-2-4-9(18)5-3-8/h2-7H,1H3,(H,24,27)(H,28,29)