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

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-nitro-3-(trifluoromethyl)benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-nitro-3-(trifluoromethyl)benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-nitro-3-(trifluoromethyl)benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-nitro-3-(trifluoromethyl)benzamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-nitro-3-(trifluoromethyl)benzamide Formula: C24H17F3N6O3 MolecularWeight: 494.42539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C24H17F3N6O3/c1-14-4-6-17(30-22(34)15-5-7-21(33(35)36)18(11-15)24(25,26)27)12-20(14)32-23-29-10-8-19(31-23)16-3-2-9-28-13-16/h2-13H,1H3,(H,30,34)(H,29,31,32)