(4aS,9aR)-2-Benzoyl-7-[2-(2-oxo-1-imidazolidinyl)ethyl]decahydro-6H-pyrido[3,4-d]azepin-6-one

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Systematic / IUPAC Name: (4aS,9aR)-2-Benzoyl-7-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one

ID: Reference9235

Other Names: 6H-Pyrido[3,4-d]azepin-6-one, 2-benzoyldecahydro-7-[2-(2-oxo-1-imidazolidinyl)ethyl]-, (4aS,9aR)-;
NAT14-346062

Formula: C21H28N4O3

Spectral Data

(4aS,9aR)-2-Benzoyl-7-[2-(2-oxo-1-imidazolidinyl)ethyl]decahydro-6H-pyrido[3,4-d]azepin-6-one 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 1136
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/13/2019 10:15:08 AM
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Identificators

InChI InChI=1S/C21H28N4O3/c26-19-14-17-6-10-25(20(27)16-4-2-1-3-5-16)15-18(17)7-9-23(19)12-13-24-11-8-22-21(24)28/h1-5,17-18H,6-15H2,(H,22,28)/t17-,18-/m0/s1
InChI Key CUGVITIZUYUXFL-ROUUACIJSA-N
Canonical SMILES C1CN(CC2C1CC(=O)N(CC2)CCN3CCNC3=O)C(=O)C4=CC=CC=C4
CAS
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Other Names 6H-Pyrido[3,4-d]azepin-6-one, 2-benzoyldecahydro-7-[2-(2-oxo-1-imidazolidinyl)ethyl]-, (4aS,9aR)-;
NAT14-346062

In Other Databases

PubChem 26742846
ChemSpider 21384694