2-[4-(5-fluoranylpyrimidin-2-yl)-2-(4-fluorophenyl)piperazin-1-yl]pentanenitrile

Systemtic Name: 2-[4-(5-fluoranylpyrimidin-2-yl)-2-(4-fluorophenyl)piperazin-1-yl]pentanenitrile Openeye Name: 2-[2-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentanenitrile CAS Name: 2-[2-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]pentanenitrile IUPAC Name: 2-[2-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentanenitrile Traditional Name: 2-[2-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazino]valeronitrile Formula: C19H21F2N5 MolecularWeight: 357.400346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)N1CCN(CC1C2=CC=C(C=C2)F)C3=NC=C(C=N3)F

Isomeric SMILES

CCCC(C#N)N1CCN(CC1C2=CC=C(C=C2)F)C3=NC=C(C=N3)F

InChI

InChI=1S/C19H21F2N5/c1-2-3-17(10-22)26-9-8-25(19-23-11-16(21)12-24-19)13-18(26)14-4-6-15(20)7-5-14/h4-7,11-12,17-18H,2-3,8-9,13H2,1H3