(1R,9R)-6-Oxo-N-phenyl-3-(5-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

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

ID: Reference8844

Other Names: 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, 1,5,6,8-tetrahydro-8-oxo-N-phenyl-11-(5-pyrimidinyl)-, (1R,5R)-;
NAT11-288706

Formula: C22H21N5O2

Spectral Data

(1R,9R)-6-Oxo-N-phenyl-3-(5-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide 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 1
No. of Spectra 2331
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 8/19/2019 6:01:57 AM
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Identificators

InChI InChI=1S/C22H21N5O2/c28-20-7-6-19(17-9-23-14-24-10-17)21-16-8-15(12-27(20)21)11-26(13-16)22(29)25-18-4-2-1-3-5-18/h1-7,9-10,14-16H,8,11-13H2,(H,25,29)/t15-,16+/m0/s1
InChI Key YEFGNSJSPFUKNJ-JKSUJKDBSA-N
Canonical SMILES C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CN=CN=C4)C(=O)NC5=CC=CC=C5
CAS
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Other Names 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, 1,5,6,8-tetrahydro-8-oxo-N-phenyl-11-(5-pyrimidinyl)-, (1R,5R)-;
NAT11-288706

In Other Databases

PubChem 7687194
ChemSpider 5999477