N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-morpholino-3-(trifluoromethyl)benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-(4-morpholinyl)-3-(trifluoromethyl)benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-morpholino-3-(trifluoromethyl)benzamide Formula: C28H25F3N6O2 MolecularWeight: 534.53231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H25F3N6O2/c1-18-4-6-21(16-24(18)36-27-33-10-8-23(35-27)20-3-2-9-32-17-20)34-26(38)19-5-7-25(22(15-19)28(29,30)31)37-11-13-39-14-12-37/h2-10,15-17H,11-14H2,1H3,(H,34,38)(H,33,35,36)