3-({(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}methyl)benzonitrile

enlarge

Systematic / IUPAC Name: 3-[[(1R,9S)-5-[(E)-2-(4-Chlorophenyl)ethenyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]benzonitrile

ID: Reference10186

Other Names: Benzonitrile, 3-[[(1R,5S)-9-[(E)-2-(4-chlorophenyl)ethenyl]-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl]-;
NAT11-287162

Formula: C27H24ClN3O

Spectral Data

3-({(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}methyl)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 1
No. of Spectra 410
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2021 2:29:54 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H24ClN3O/c28-25-9-5-19(6-10-25)4-7-23-8-11-26-24-13-22(17-31(26)27(23)32)16-30(18-24)15-21-3-1-2-20(12-21)14-29/h1-12,22,24H,13,15-18H2/b7-4+/t22-,24+/m0/s1
InChI Key CCTULZMIHFXVFQ-YYLDKTNSSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C=CC4=CC=C(C=C4)Cl)CC5=CC(=CC=C5)C#N
CAS
Splash
Other Names Benzonitrile, 3-[[(1R,5S)-9-[(E)-2-(4-chlorophenyl)ethenyl]-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl]-;
NAT11-287162

In Other Databases

ChemSpider 5484826
PubChem 7144073