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

Systemtic Name: 3-[[4-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[4-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[[4-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[4-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[4-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazinoic acid Formula: C18H14F3N5O4 MolecularWeight: 421.33007

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)OC)NC(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N5O4/c1-26-15(24-16(27)12-13(17(28)29)23-8-7-22-12)11(14(25-26)18(19,20)21)9-3-5-10(30-2)6-4-9/h3-8H,1-2H3,(H,24,27)(H,28,29)