N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-piperidin-1-yl-3-(trifluoromethyl)benzamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-piperidin-1-yl-3-(trifluoromethyl)benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-(1-piperidyl)-3-(trifluoromethyl)benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-(1-piperidinyl)-3-(trifluoromethyl)benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-piperidin-1-yl-3-(trifluoromethyl)benzamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-piperidino-3-(trifluoromethyl)benzamide Formula: C29H27F3N6O MolecularWeight: 532.55949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)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)N3CCCCC3)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C29H27F3N6O/c1-19-7-9-22(17-25(19)37-28-34-13-11-24(36-28)21-6-5-12-33-18-21)35-27(39)20-8-10-26(23(16-20)29(30,31)32)38-14-3-2-4-15-38/h5-13,16-18H,2-4,14-15H2,1H3,(H,35,39)(H,34,36,37)