(1R,9R)-5-(1-Benzothiophen-2-yl)-N-isopropyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

Systematic / IUPAC Name: (1R,9R)-5-(1-Benzothiophen-2-yl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

ID: Reference13133

Other Names: NAT11-284194

Formula: C23H25N3O2S

Spectral Data

(1R,9R)-5-(1-Benzothiophen-2-yl)-N-isopropyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-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 1
No. of Spectra 1769
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/9/2024 12:32:58 PM
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Identificators

InChI InChI=1S/C23H25N3O2S/c1-14(2)24-23(28)25-11-15-9-17(13-25)19-8-7-18(22(27)26(19)12-15)21-10-16-5-3-4-6-20(16)29-21/h3-8,10,14-15,17H,9,11-13H2,1-2H3,(H,24,28)/t15-,17+/m0/s1
InChI Key OUYKVMAQWCPAEQ-DOTOQJQBSA-N
Canonical SMILES CC(C)NC(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)C4=CC5=CC=CC=C5S4
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Other Names NAT11-284194

In Other Databases

PubChem 7672458
ChemSpider 5986148