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

enlarge

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

ID: Reference10191

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-benzo[b]thien-2-yl-3-(cyclohexylcarbonyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-284163

Formula: C26H28N2O2S

Spectral Data

(1R,9S)-5-(1-Benzothiophen-2-yl)-11-(cyclohexylcarbonyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 780
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2021 2:37:17 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H28N2O2S/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/h4-5,8-11,13,17-18,20H,1-3,6-7,12,14-16H2/t17-,20+/m0/s1
InChI Key CZBDKNHDHLSSOT-FXAWDEMLSA-N
Canonical SMILES C1CCC(CC1)C(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC6=CC=CC=C6S5
CAS
Splash
Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-benzo[b]thien-2-yl-3-(cyclohexylcarbonyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-284163

In Other Databases

ChemSpider 10086285
PubChem 11911962