[4-(methylcarbamoyl)phenyl] 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: [4-(methylcarbamoyl)phenyl] 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: [4-(methylcarbamoyl)phenyl] 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(6-methoxy-3-pyridazinyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid [4-(methylcarbamoyl)phenyl] ester IUPAC Name: [4-(methylcarbamoyl)phenyl] 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid [4-(methylcarbamoyl)phenyl] ester Formula: C18H14F3N5O4 MolecularWeight: 421.33007

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)OC)C(F)(F)F

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)OC)C(F)(F)F

InChI

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