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

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

ID: Reference9990

Other Names: Benzamide, N-[(1R,5S)-3-benzoyl-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-4-fluoro-;
NAT11-274716

Formula: C25H22FN3O3

Spectral Data

N-[(1R,9S)-11-Benzoyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide 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 1122
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2020 12:07:40 PM
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Identificators

InChI InChI=1S/C25H22FN3O3/c26-20-8-6-17(7-9-20)23(30)27-21-10-11-22-19-12-16(14-29(22)25(21)32)13-28(15-19)24(31)18-4-2-1-3-5-18/h1-11,16,19H,12-15H2,(H,27,30)/t16-,19+/m0/s1
InChI Key CQYJKTPCZRPZCM-QFBILLFUSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=C(C=C4)F)C(=O)C5=CC=CC=C5
CAS
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Other Names Benzamide, N-[(1R,5S)-3-benzoyl-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-4-fluoro-;
NAT11-274716

In Other Databases

PubChem 7142696
ChemSpider 5484436