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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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