(3R,4R)-N-(3-Cyanophenyl)-4-hydroxy-3-({4-[2-(4-morpholinyl)ethoxy]benzoyl}amino)-1-azepanecarboxamide

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Systematic / IUPAC Name: (3R,4R)-N-(3-Cyanophenyl)-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide

ID: Reference9277

Other Names: 1H-Azepine-1-carboxamide, N-(3-cyanophenyl)hexahydro-4-hydroxy-3-[[4-[2-(4-morpholinyl)ethoxy]benzoyl]amino]-, (3R,4R)-;
NAT10-382305

Formula: C27H33N5O5

Spectral Data

(3R,4R)-N-(3-Cyanophenyl)-4-hydroxy-3-({4-[2-(4-morpholinyl)ethoxy]benzoyl}amino)-1-azepanecarboxamide 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 730
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/10/2020 2:10:18 PM
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Identificators

InChI InChI=1S/C27H33N5O5/c28-18-20-3-1-4-22(17-20)29-27(35)32-10-2-5-25(33)24(19-32)30-26(34)21-6-8-23(9-7-21)37-16-13-31-11-14-36-15-12-31/h1,3-4,6-9,17,24-25,33H,2,5,10-16,19H2,(H,29,35)(H,30,34)/t24-,25-/m1/s1
InChI Key HFVHUXPZOKAJRC-JWQCQUIFSA-N
Canonical SMILES C1CC(C(CN(C1)C(=O)NC2=CC=CC(=C2)C#N)NC(=O)C3=CC=C(C=C3)OCCN4CCOCC4)O
CAS
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Other Names 1H-Azepine-1-carboxamide, N-(3-cyanophenyl)hexahydro-4-hydroxy-3-[[4-[2-(4-morpholinyl)ethoxy]benzoyl]amino]-, (3R,4R)-;
NAT10-382305

In Other Databases

ChemSpider 21380045
PubChem 26742268