ethyl 4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-keto-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H16ClF3N4O3 MolecularWeight: 428.79285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=C(N(N=C2C)C3=CC=CC=C3)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=C(N(N=C2C)C3=CC=CC=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H16ClF3N4O3/c1-3-29-16(27)12-13(23-17(28)24-14(12)18(20,21)22)11-9(2)25-26(15(11)19)10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3,(H2,23,24,28)