4-{[(1R,9S)-6-Oxo-3-(5-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]carbonyl}benzonitrile

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Systematic / IUPAC Name: 4-[(1R,9S)-6-Oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]benzonitrile

ID: Reference8872

Other Names: Benzonitrile, 4-[[(1R,5S)-1,5,6,8-tetrahydro-8-oxo-11-(5-pyrimidinyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl]-;
NAT11-288690

Formula: C23H19N5O2

Spectral Data

4-{[(1R,9S)-6-Oxo-3-(5-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-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 FAIMS
No. of Spectral Trees 2
No. of Spectra 1247
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 8:01:10 AM
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Identificators

InChI InChI=1S/C23H19N5O2/c24-8-15-1-3-17(4-2-15)23(30)27-11-16-7-18(13-27)22-20(19-9-25-14-26-10-19)5-6-21(29)28(22)12-16/h1-6,9-10,14,16,18H,7,11-13H2/t16-,18+/m0/s1
InChI Key ZHKXRZVHHQEPGM-FUHWJXTLSA-N
Canonical SMILES C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CN=CN=C4)C(=O)C5=CC=C(C=C5)C#N
CAS
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Other Names Benzonitrile, 4-[[(1R,5S)-1,5,6,8-tetrahydro-8-oxo-11-(5-pyrimidinyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl]-;
NAT11-288690

In Other Databases

ChemSpider 5999469
PubChem 7687186