ethyl 1-butyl-4-(ethylcarbamoylamino)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-butyl-4-(ethylcarbamoylamino)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-butyl-4-(ethylcarbamoylamino)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 1-butyl-4-(ethylcarbamoylamino)-5-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-4-(ethylcarbamoylamino)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 1-butyl-4-(ethylcarbamoylamino)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C20H25F3N4O3 MolecularWeight: 426.43271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C(=O)OCC)NC(=O)NCC)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCN1C(=C(C(=N1)C(=O)OCC)NC(=O)NCC)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C20H25F3N4O3/c1-4-7-12-27-17(13-8-10-14(11-9-13)20(21,22)23)15(25-19(29)24-5-2)16(26-27)18(28)30-6-3/h8-11H,4-7,12H2,1-3H3,(H2,24,25,29)