4-({(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}carbonyl)benzonitrile

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Systematic / IUPAC Name: 4-[(1R,9S)-5-[(E)-2-(4-Chlorophenyl)ethenyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]benzonitrile

ID: Reference12236

Other Names: NAT11-285433

Formula: C27H22ClN3O2

Spectral Data

4-({(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}carbonyl)benzonitrile 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 2130
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/9/2023 9:08:57 PM
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Identificators

InChI InChI=1S/C27H22ClN3O2/c28-24-10-4-18(5-11-24)1-6-22-9-12-25-23-13-20(16-31(25)27(22)33)15-30(17-23)26(32)21-7-2-19(14-29)3-8-21/h1-12,20,23H,13,15-17H2/b6-1+/t20-,23+/m0/s1
InChI Key VDTHKNWKRZHCNO-XSFJZEEFSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C=CC4=CC=C(C=C4)Cl)C(=O)C5=CC=C(C=C5)C#N
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Other Names NAT11-285433

In Other Databases

PubChem 11911750
ChemSpider 10086073