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

enlarge

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

ID: Reference9931

Other Names: Benzonitrile, 4-[[(1R,5S)-1,5,6,8-tetrahydro-9-(2-methylphenyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl]-;
NAT11-284293

Formula: C26H23N3O2

Spectral Data

4-{[(1R,9S)-5-(2-Methylphenyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 1472
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/10/2020 8:40:24 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H23N3O2/c1-17-4-2-3-5-22(17)23-10-11-24-21-12-19(15-29(24)26(23)31)14-28(16-21)25(30)20-8-6-18(13-27)7-9-20/h2-11,19,21H,12,14-16H2,1H3/t19-,21+/m0/s1
InChI Key RUMCKAJNTFXQQC-PZJWPPBQSA-N
Canonical SMILES CC1=CC=CC=C1C2=CC=C3C4CC(CN(C4)C(=O)C5=CC=C(C=C5)C#N)CN3C2=O
CAS
Splash
Other Names Benzonitrile, 4-[[(1R,5S)-1,5,6,8-tetrahydro-9-(2-methylphenyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl]-;
NAT11-284293

In Other Databases

PubChem 11942816
ChemSpider 10117135