[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C24H16F3N3O2 MolecularWeight: 435.39795

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C24H16F3N3O2/c25-24(26,27)18-11-9-17(10-12-18)23(31)32-20-8-4-7-19(13-20)30-22-14-21(28-15-29-22)16-5-2-1-3-6-16/h1-15H,(H,28,29,30)