2-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-[[2-(trifluoromethyloxy)phenyl]methyl]-1,3-dihydroisoindole-5-carboxamide

Systemtic Name: 2-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-[[2-(trifluoromethyloxy)phenyl]methyl]-1,3-dihydroisoindole-5-carboxamide Openeye Name: 2-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]isoindoline-5-carboxamide CAS Name: 2-[2-methyl-6-(methylamino)-4-pyrimidinyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-dihydroisoindole-5-carboxamide IUPAC Name: 2-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-dihydroisoindole-5-carboxamide Traditional Name: 2-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-[2-(trifluoromethoxy)benzyl]isoindoline-5-carboxamide Formula: C23H22F3N5O2 MolecularWeight: 457.44829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC)N2CC3=C(C2)C=C(C=C3)C(=O)NCC4=CC=CC=C4OC(F)(F)F

Isomeric SMILES

CC1=NC(=CC(=N1)NC)N2CC3=C(C2)C=C(C=C3)C(=O)NCC4=CC=CC=C4OC(F)(F)F

InChI

InChI=1S/C23H22F3N5O2/c1-14-29-20(27-2)10-21(30-14)31-12-17-8-7-15(9-18(17)13-31)22(32)28-11-16-5-3-4-6-19(16)33-23(24,25)26/h3-10H,11-13H2,1-2H3,(H,28,32)(H,27,29,30)