(4aS,9aR)-7-(2-Acetamidoethyl)-N-allyl-6-oxodecahydro-2H-pyrido[3,4-d]azepine-2-carboxamide

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Systematic / IUPAC Name: (4aS,9aR)-7-(2-Acetamidoethyl)-6-oxo-N-prop-2-enyl-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide

ID: Reference9360

Other Names: 2H-Pyrido[3,4-d]azepine-2-carboxamide, 7-[2-(acetylamino)ethyl]decahydro-6-oxo-N-2-propen-1-yl-, (4aS,9aR)-;
NAT14-345195

Formula: C17H28N4O3

Spectral Data

(4aS,9aR)-7-(2-Acetamidoethyl)-N-allyl-6-oxodecahydro-2H-pyrido[3,4-d]azepine-2-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
No. of Spectral Trees 2
No. of Spectra 2272
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/6/2020 7:54:28 AM
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Identificators

InChI InChI=1S/C17H28N4O3/c1-3-6-19-17(24)21-9-4-14-11-16(23)20(8-5-15(14)12-21)10-7-18-13(2)22/h3,14-15H,1,4-12H2,2H3,(H,18,22)(H,19,24)/t14-,15-/m0/s1
InChI Key LRTDBLMTEXPEMM-GJZGRUSLSA-N
Canonical SMILES CC(=O)NCCN1CCC2CN(CCC2CC1=O)C(=O)NCC=C
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Other Names 2H-Pyrido[3,4-d]azepine-2-carboxamide, 7-[2-(acetylamino)ethyl]decahydro-6-oxo-N-2-propen-1-yl-, (4aS,9aR)-;
NAT14-345195

In Other Databases

ChemSpider 21384524
PubChem 26742631