N-[(1R,9S)-6-Oxo-11-(phenoxyacetyl)-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)-6-Oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide

ID: Reference10105

Other Names: 4-Pyridinecarboxamide, N-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(2-phenoxyacetyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-274916

Formula: C25H24N4O4

Spectral Data

N-[(1R,9S)-6-Oxo-11-(phenoxyacetyl)-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 1
No. of Spectra 2285
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/27/2020 11:35:01 AM
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Identificators

InChI InChI=1S/C25H24N4O4/c30-23(16-33-20-4-2-1-3-5-20)28-13-17-12-19(15-28)22-7-6-21(25(32)29(22)14-17)27-24(31)18-8-10-26-11-9-18/h1-11,17,19H,12-16H2,(H,27,31)/t17-,19+/m0/s1
InChI Key UQJMDYKQMPWVMF-PKOBYXMFSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=NC=C4)C(=O)COC5=CC=CC=C5
CAS
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Other Names 4-Pyridinecarboxamide, N-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(2-phenoxyacetyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-274916

In Other Databases

ChemSpider 5484457
PubChem 7142733