4-[3-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]propoxy]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[3-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]propoxy]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[3-[4-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)piperazin-1-yl]propoxy]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[3-[4-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-1-piperazinyl]propoxy]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[3-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]propoxy]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[3-[4-(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)piperazino]propoxy]-2-(trifluoromethyl)benzonitrile Formula: C21H24F3N5O3 MolecularWeight: 451.44217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H24F3N5O3/c1-26-18(13-19(30)27(2)20(26)31)29-9-7-28(8-10-29)6-3-11-32-16-5-4-15(14-25)17(12-16)21(22,23)24/h4-5,12-13H,3,6-11H2,1-2H3