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

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

ID: Reference10093

Other Names: 4-Pyridinecarboxamide, N-[(1R,5S)-3-[(4-fluorophenyl)methyl]-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-295047

Formula: C24H23FN4O2

Spectral Data

N-[(1R,9S)-11-(4-Fluorobenzyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]isonicotinamide 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 1795
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/20/2020 9:31:21 AM
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Identificators

InChI InChI=1S/C24H23FN4O2/c25-20-3-1-16(2-4-20)12-28-13-17-11-19(15-28)22-6-5-21(24(31)29(22)14-17)27-23(30)18-7-9-26-10-8-18/h1-10,17,19H,11-15H2,(H,27,30)/t17-,19+/m0/s1
InChI Key SABVWMRXLZOCQT-PKOBYXMFSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=NC=C4)CC5=CC=C(C=C5)F
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Other Names 4-Pyridinecarboxamide, N-[(1R,5S)-3-[(4-fluorophenyl)methyl]-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-295047

In Other Databases

PubChem 7155689
ChemSpider 5495746