4-({(6S)-6-[3-(1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}carbonyl)benzonitrile

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Systematic / IUPAC Name: 4-[(6S)-6-[3-(1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile

ID: Reference9564

Other Names: Benzonitrile, 4-[[(6S)-6-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl]-;
NAT22-381675

Formula: C23H16N6O4

Spectral Data

4-({(6S)-6-[3-(1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}carbonyl)benzonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 3735
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/3/2020 12:16:27 PM
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Identificators

InChI InChI=1S/C23H16N6O4/c24-9-13-1-3-14(4-2-13)23(30)29-10-17-16(25-11-26-17)8-18(29)22-27-21(28-33-22)15-5-6-19-20(7-15)32-12-31-19/h1-7,11,18H,8,10,12H2,(H,25,26)/t18-/m0/s1
InChI Key TUMHRNCRRYLARG-SFHVURJKSA-N
Canonical SMILES C1C(N(CC2=C1N=CN2)C(=O)C3=CC=C(C=C3)C#N)C4=NC(=NO4)C5=CC6=C(C=C5)OCO6
CAS
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Other Names Benzonitrile, 4-[[(6S)-6-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl]-;
NAT22-381675

In Other Databases

PubChem 26762014
ChemSpider 21382371