4-methyl-N-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]benzamide

Systemtic Name: 4-methyl-N-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]benzamide Openeye Name: 4-methyl-N-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]benzamide CAS Name: 4-methyl-N-[4-[[(3R)-3-methyl-1-piperazinyl]methyl]-3-(trifluoromethyl)phenyl]-3-[[4-(5-pyrimidinyl)-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-methyl-N-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]benzamide Traditional Name: 4-methyl-N-[4-[[(3R)-3-methylpiperazino]methyl]-3-(trifluoromethyl)phenyl]-3-[[4-(5-pyrimidyl)pyrimidin-2-yl]amino]benzamide Formula: C29H29F3N8O MolecularWeight: 562.58877

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CN=C5)C(F)(F)F

Isomeric SMILES

C[C@@H]1CN(CCN1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CN=C5)C(F)(F)F

InChI

InChI=1S/C29H29F3N8O/c1-18-3-4-20(11-26(18)39-28-36-8-7-25(38-28)22-13-33-17-34-14-22)27(41)37-23-6-5-21(24(12-23)29(30,31)32)16-40-10-9-35-19(2)15-40/h3-8,11-14,17,19,35H,9-10,15-16H2,1-2H3,(H,37,41)(H,36,38,39)/t19-/m1/s1