3-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propionitrile Formula: C20H15F3N4 MolecularWeight: 368.35511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC(=N2)NCCC#N)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CC(=N2)NCCC#N)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N4/c21-20(22,23)16-9-4-8-15(12-16)17-13-18(25-11-5-10-24)27-19(26-17)14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,11H2,(H,25,26,27)