ethyl 5-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydropyrazole-4-carboxylate Openeye Name: ethyl 5-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydropyrazole-4-carboxylate CAS Name: 2-[oxo-[4-(trifluoromethyl)anilino]methyl]-5-phenyl-3,4-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydropyrazole-4-carboxylate Traditional Name: 3-phenyl-1-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C20H18F3N3O3 MolecularWeight: 405.37043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(N=C1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CN(N=C1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O3/c1-2-29-18(27)16-12-26(25-17(16)13-6-4-3-5-7-13)19(28)24-15-10-8-14(9-11-15)20(21,22)23/h3-11,16H,2,12H2,1H3,(H,24,28)