3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-4-methyl-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-[2-piperidino-5-(trifluoromethyl)phenyl]benzamide Formula: C26H24F3N5O MolecularWeight: 479.49687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)C#CC4=CN=C(N=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)C#CC4=CN=C(N=C4)N

InChI

InChI=1S/C26H24F3N5O/c1-17-5-7-20(13-19(17)8-6-18-15-31-25(30)32-16-18)24(35)33-22-14-21(26(27,28)29)9-10-23(22)34-11-3-2-4-12-34/h5,7,9-10,13-16H,2-4,11-12H2,1H3,(H,33,35)(H2,30,31,32)