4-Cyano-N-[(1R,9S)-11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide

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Systematic / IUPAC Name: 4-Cyano-N-[(1R,9S)-11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide

ID: Reference12949

Other Names: NAT11-291890

Formula: C26H21FN4O3

Spectral Data

4-Cyano-N-[(1R,9S)-11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide 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 1
No. of Spectra 765
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/21/2023 11:50:14 AM
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Identificators

InChI InChI=1S/C26H21FN4O3/c27-21-7-5-19(6-8-21)25(33)30-13-17-11-20(15-30)23-10-9-22(26(34)31(23)14-17)29-24(32)18-3-1-16(12-28)2-4-18/h1-10,17,20H,11,13-15H2,(H,29,32)/t17-,20+/m0/s1
InChI Key ZMLKCJHMDDSTID-FXAWDEMLSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=C(C=C4)C#N)C(=O)C5=CC=C(C=C5)F
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Other Names NAT11-291890

In Other Databases

PubChem 11885876
ChemSpider 10060199