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

ID: Reference10003

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,3,4,5,6-hexahydro-3-(4-methylbenzoyl)-, (1R,5S)-;
NAT11-285428

Formula: C27H25ClN2O2

Spectral Data

(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(4-methylbenzoyl)-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 270
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2020 8:40:34 AM
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Identificators

InChI InChI=1S/C27H25ClN2O2/c1-18-2-7-21(8-3-18)26(31)29-15-20-14-23(17-29)25-13-10-22(27(32)30(25)16-20)9-4-19-5-11-24(28)12-6-19/h2-13,20,23H,14-17H2,1H3/b9-4+/t20-,23+/m0/s1
InChI Key GCQCQDDERNSGLK-BBQCWBHMSA-N
Canonical SMILES CC1=CC=C(C=C1)C(=O)N2CC3CC(C2)C4=CC=C(C(=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, 9-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,3,4,5,6-hexahydro-3-(4-methylbenzoyl)-, (1R,5S)-;
NAT11-285428

In Other Databases

ChemSpider 5977665
PubChem 7663757