N-[3-[[4-(5-bromanylpyridin-3-yl)pyrimidin-2-yl]amino]-4-methyl-phenyl]-4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-[[4-(5-bromanylpyridin-3-yl)pyrimidin-2-yl]amino]-4-methyl-phenyl]-4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[[4-(5-bromo-3-pyridyl)pyrimidin-2-yl]amino]-4-methyl-phenyl]-4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide CAS Name: N-[3-[[4-(5-bromo-3-pyridinyl)-2-pyrimidinyl]amino]-4-methylphenyl]-4-(1-piperazinylmethyl)-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[[4-(5-bromopyridin-3-yl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[[4-(5-bromo-3-pyridyl)pyrimidin-2-yl]amino]-4-methyl-phenyl]-4-(piperazinomethyl)-3-(trifluoromethyl)benzamide Formula: C29H27BrF3N7O MolecularWeight: 626.47019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCNCC3)C(F)(F)F)NC4=NC=CC(=N4)C5=CC(=CN=C5)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCNCC3)C(F)(F)F)NC4=NC=CC(=N4)C5=CC(=CN=C5)Br

InChI

InChI=1S/C29H27BrF3N7O/c1-18-2-5-23(14-26(18)39-28-36-7-6-25(38-28)21-12-22(30)16-35-15-21)37-27(41)19-3-4-20(24(13-19)29(31,32)33)17-40-10-8-34-9-11-40/h2-7,12-16,34H,8-11,17H2,1H3,(H,37,41)(H,36,38,39)