(4aS,9aR)-N-Allyl-6-oxo-7-[2-(2-oxo-1-imidazolidinyl)ethyl]decahydro-2H-pyrido[3,4-d]azepine-2-carboxamide

enlarge

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

ID: Reference9234

Other Names: 2H-Pyrido[3,4-d]azepine-2-carboxamide, decahydro-6-oxo-7-[2-(2-oxo-1-imidazolidinyl)ethyl]-N-2-propen-1-yl-, (4aS,9aR)-;
NAT14-346056

Formula: C18H29N5O3

Spectral Data

(4aS,9aR)-N-Allyl-6-oxo-7-[2-(2-oxo-1-imidazolidinyl)ethyl]decahydro-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 1585
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/13/2019 10:14:25 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H29N5O3/c1-2-5-19-18(26)23-8-3-14-12-16(24)21(7-4-15(14)13-23)10-11-22-9-6-20-17(22)25/h2,14-15H,1,3-13H2,(H,19,26)(H,20,25)/t14-,15-/m0/s1
InChI Key DGIIBWUHTUDXOL-GJZGRUSLSA-N
Canonical SMILES C=CCNC(=O)N1CCC2CC(=O)N(CCC2C1)CCN3CCNC3=O
CAS
Splash
Other Names 2H-Pyrido[3,4-d]azepine-2-carboxamide, decahydro-6-oxo-7-[2-(2-oxo-1-imidazolidinyl)ethyl]-N-2-propen-1-yl-, (4aS,9aR)-;
NAT14-346056

In Other Databases

ChemSpider 21384691
PubChem 26742843