N-[4-methyl-3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[4-methyl-3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[4-methyl-3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[4-methyl-3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-benzimidazolyl]amino]phenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[4-methyl-3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[4-methyl-3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide Formula: C27H19F3N8O MolecularWeight: 528.48797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3=NC4=CC=CC=C4N3C5=NC=NC6=C5C=NN6

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3=NC4=CC=CC=C4N3C5=NC=NC6=C5C=NN6

InChI

InChI=1S/C27H19F3N8O/c1-15-9-10-18(34-25(39)16-5-4-6-17(11-16)27(28,29)30)12-21(15)36-26-35-20-7-2-3-8-22(20)38(26)24-19-13-33-37-23(19)31-14-32-24/h2-14H,1H3,(H,34,39)(H,35,36)(H,31,32,33,37)