3-[2-cyanoethyl-[4-[[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]methyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[4-[[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]methyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-(2-cyanoethyl)-4-[[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]methyl]anilino]propanenitrile CAS Name: 3-[N-(2-cyanoethyl)-4-[[2-[[2-(trifluoromethyl)-4-pyrimidinyl]oxymethyl]-4-morpholinyl]methyl]anilino]propanenitrile IUPAC Name: 3-[N-(2-cyanoethyl)-4-[[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]methyl]anilino]propanenitrile Traditional Name: 3-[N-(2-cyanoethyl)-4-[[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholino]methyl]anilino]propionitrile Formula: C23H25F3N6O2 MolecularWeight: 474.47881

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1CC2=CC=C(C=C2)N(CCC#N)CCC#N)COC3=NC(=NC=C3)C(F)(F)F

Isomeric SMILES

C1COC(CN1CC2=CC=C(C=C2)N(CCC#N)CCC#N)COC3=NC(=NC=C3)C(F)(F)F

InChI

InChI=1S/C23H25F3N6O2/c24-23(25,26)22-29-10-7-21(30-22)34-17-20-16-31(13-14-33-20)15-18-3-5-19(6-4-18)32(11-1-8-27)12-2-9-28/h3-7,10,20H,1-2,11-17H2