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

Systemtic Name: 3-[[4-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylate Openeye Name: 3-[[4-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylate CAS Name: 3-[[[4-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]amino]-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-[[4-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylate Traditional Name: 3-[[4-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]pyrazinate Formula: C18H13F3N5O4- MolecularWeight: 420.32213

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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)/p-1