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4-(4-chlorophenyl)-2-cyclopropyl-6-(4-pyridin-2-ylpiperazin-1-yl)benzenecarbonitrile
SpectraBase Compound ID BlUTu1G88UZ
InChI InChI=1S/C25H23ClN4/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 JZGLTNDJAGCUPV-UHFFFAOYSA-N
Mol Weight 414.94 g/mol
Molecular Formula C25H23ClN4
Exact Mass 414.161124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54KaG2C9cOO
Name 4-(4-chlorophenyl)-2-cyclopropyl-6-(4-pyridin-2-ylpiperazin-1-yl)benzenecarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C25H23ClN4
InChI InChI=1S/C25H23ClN4/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 JZGLTNDJAGCUPV-UHFFFAOYSA-N
Molecular Weight 414.940 g/mol
SMILES c1(c(N2CCN(CC2)c2ncccc2)cc(cc1C1CC1)-c1ccc(cc1)Cl)C#N
SPLASH splash10-02t9-0000900000-6aa28f6b2a0997879aeb
Source of Spectrum K-2001-1958-6
Synonyms 4-(4-chlorophenyl)-2-cyclopropyl-6-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile 4-(4-chlorophenyl)-2-cyclopropyl-6-[4-(2-pyridinyl)-1-piperazinyl]benzonitrile 4-(4-chlorophenyl)-2-cyclopropyl-6-[4-(2-pyridyl)piperazin-1-yl]benzonitrile 4-(4-chlorophenyl)-2-cyclopropyl-6-[4-(2-pyridyl)piperazino]benzonitrile
Wiley ID 1579542