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

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

ID: Reference10188

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-[(E)-2-(4-chlorophenyl)ethenyl]-3-(cyclohexylcarbonyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-285423

Formula: C26H29ClN2O2

Spectral Data

(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 983
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2021 2:33:19 PM
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Identificators

InChI InChI=1S/C26H29ClN2O2/c27-23-11-7-18(8-12-23)6-9-21-10-13-24-22-14-19(16-29(24)26(21)31)15-28(17-22)25(30)20-4-2-1-3-5-20/h6-13,19-20,22H,1-5,14-17H2/b9-6+/t19-,22+/m0/s1
InChI Key ROGFEQBELJFWHZ-ZORGVRQLSA-N
Canonical SMILES C1CCC(CC1)C(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C=CC5=CC=C(C=C5)Cl
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-[(E)-2-(4-chlorophenyl)ethenyl]-3-(cyclohexylcarbonyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-285423

In Other Databases

PubChem 11885265
ChemSpider 10059593