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

Systemtic Name: 3-[[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[[2-methyl-4-phenyl-5-(trifluoromethyl)-3-pyrazolyl]amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazinoic acid Formula: C17H12F3N5O3 MolecularWeight: 391.30409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N5O3/c1-25-14(23-15(26)11-12(16(27)28)22-8-7-21-11)10(9-5-3-2-4-6-9)13(24-25)17(18,19)20/h2-8H,1H3,(H,23,26)(H,27,28)