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2-cyclopropyl-4-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)benzenecarbonitrile
SpectraBase Compound ID GFmnBRjIUvf
InChI InChI=1S/C25H23FN4/c26-21-8-6-18(7-9-21)20-15-22(19-4-5-19)23(17-27)24(16-20)29-11-13-30(14-12-29)25-3-1-2-10-28-25/h1-3,6-10,15-16,19H,4-5,11-14H2
InChIKey PQLIVNOAFOSRJK-UHFFFAOYSA-N
Mol Weight 398.49 g/mol
Molecular Formula C25H23FN4
Exact Mass 398.190675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gBzcuDxdEh
Name 2-cyclopropyl-4-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)benzenecarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C25H23FN4
InChI InChI=1S/C25H23FN4/c26-21-8-6-18(7-9-21)20-15-22(19-4-5-19)23(17-27)24(16-20)29-11-13-30(14-12-29)25-3-1-2-10-28-25/h1-3,6-10,15-16,19H,4-5,11-14H2
InChIKey PQLIVNOAFOSRJK-UHFFFAOYSA-N
Molecular Weight 398.485 g/mol
SMILES C(c1c(cc(cc1N1CCN(CC1)c1ccccn1)-c1ccc(cc1)F)C1CC1)#N
SPLASH splash10-000b-0509000000-5ab702a042aae46e5c47
Source of Spectrum K-2001-1958-6
Synonyms 2-cyclopropyl-4-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile 2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-pyridinyl)-1-piperazinyl]benzonitrile 2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-pyridyl)piperazin-1-yl]benzonitrile 2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-pyridyl)piperazino]benzonitrile
Wiley ID 1579555