(1R,9S)-5-(1-Benzothiophen-2-yl)-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-5-(1-Benzothiophen-2-yl)-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10189

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-benzo[b]thien-2-yl-3-benzoyl-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-284157

Formula: C26H22N2O2S

Spectral Data

(1R,9S)-5-(1-Benzothiophen-2-yl)-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-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 239
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2021 2:34:30 PM
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Identificators

InChI InChI=1S/C26H22N2O2S/c29-25(18-6-2-1-3-7-18)27-14-17-12-20(16-27)22-11-10-21(26(30)28(22)15-17)24-13-19-8-4-5-9-23(19)31-24/h1-11,13,17,20H,12,14-16H2/t17-,20+/m0/s1
InChI Key ZGABRWPVICTERM-FXAWDEMLSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC5=CC=CC=C5S4)C(=O)C6=CC=CC=C6
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-benzo[b]thien-2-yl-3-benzoyl-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-284157

In Other Databases

PubChem 7672351
ChemSpider 5986051