(1R,9S)-3-[(E)-2-(4-Chlorophenyl)vinyl]-11-(4-methoxybenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-3-[(E)-2-(4-Chlorophenyl)ethenyl]-11-(4-methoxybenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference9349

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 11-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,3,4,5,6-hexahydro-3-(4-methoxybenzoyl)-, (1R,5S)-;
NAT11-289095

Formula: C27H25ClN2O3

Spectral Data

(1R,9S)-3-[(E)-2-(4-Chlorophenyl)vinyl]-11-(4-methoxybenzoyl)-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 2
No. of Spectra 735
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/5/2020 2:16:18 PM
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Identificators

InChI InChI=1S/C27H25ClN2O3/c1-33-24-11-6-21(7-12-24)27(32)29-15-19-14-22(17-29)26-20(8-13-25(31)30(26)16-19)5-2-18-3-9-23(28)10-4-18/h2-13,19,22H,14-17H2,1H3/b5-2+/t19-,22+/m0/s1
InChI Key RWUWFLLKYJSFIE-FESIQLCVSA-N
Canonical SMILES COC1=CC=C(C=C1)C(=O)N2CC3CC(C2)C4=C(C=CC(=O)N4C3)C=CC5=CC=C(C=C5)Cl
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 11-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,3,4,5,6-hexahydro-3-(4-methoxybenzoyl)-, (1R,5S)-;
NAT11-289095

In Other Databases

ChemSpider 21380183
PubChem 26742295