4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide CAS Name: 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]benzamide Formula: C28H25F3N6O MolecularWeight: 518.53291

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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)N3CCCC3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H25F3N6O/c1-18-6-7-19(15-23(18)36-27-33-12-10-22(35-27)20-5-4-11-32-17-20)26(38)34-24-16-21(28(29,30)31)8-9-25(24)37-13-2-3-14-37/h4-12,15-17H,2-3,13-14H2,1H3,(H,34,38)(H,33,35,36)