1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H16F3N5O3 MolecularWeight: 443.37865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H16F3N5O3/c1-11-15(10-26-29(11)17-8-7-13(9-25-17)21(22,23)24)20(31)32-12(2)18-27-16-6-4-3-5-14(16)19(30)28-18/h3-10,12H,1-2H3,(H,27,28,30)