ethyl 4-[[6-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[5-phenyl-3-(trifluoromethyl)-1-pyrazolyl]-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C23H18F3N5O2 MolecularWeight: 453.41653

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C23H18F3N5O2/c1-2-33-22(32)16-8-10-17(11-9-16)29-20-13-21(28-14-27-20)31-18(15-6-4-3-5-7-15)12-19(30-31)23(24,25)26/h3-14H,2H2,1H3,(H,27,28,29)