(1R,9S)-11-(1-Benzofuran-2-ylmethyl)-5-(3-pyridinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

enlarge

Systematic / IUPAC Name: (1R,9S)-11-(1-Benzofuran-2-ylmethyl)-5-pyridin-3-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10192

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(2-benzofuranylmethyl)-1,2,3,4,5,6-hexahydro-9-(3-pyridinyl)-, (1R,5S)-;
NAT11-286965

Formula: C25H23N3O2

Spectral Data

(1R,9S)-11-(1-Benzofuran-2-ylmethyl)-5-(3-pyridinyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 450
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2021 2:38:37 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H23N3O2/c29-25-22(19-5-3-9-26-12-19)7-8-23-20-10-17(14-28(23)25)13-27(15-20)16-21-11-18-4-1-2-6-24(18)30-21/h1-9,11-12,17,20H,10,13-16H2/t17-,20+/m0/s1
InChI Key KEUMWIGPEGFLDZ-FXAWDEMLSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CN=CC=C4)CC5=CC6=CC=CC=C6O5
CAS
Splash
Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(2-benzofuranylmethyl)-1,2,3,4,5,6-hexahydro-9-(3-pyridinyl)-, (1R,5S)-;
NAT11-286965

In Other Databases

PubChem 40533400
ChemSpider 21380154