(1R,9S)-5-(1-Benzothiophen-2-yl)-11-[(1-methyl-1H-indol-3-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

enlarge

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

ID: Reference10006

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-benzo[b]thien-2-yl-1,2,3,4,5,6-hexahydro-3-[(1-methyl-1H-indol-3-yl)methyl]-, (1R,5S)-;
NAT11-286675

Formula: C29H27N3OS

Spectral Data

(1R,9S)-5-(1-Benzothiophen-2-yl)-11-[(1-methyl-1H-indol-3-yl)methyl]-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 1275
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2020 8:45:39 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C29H27N3OS/c1-30-16-22(23-7-3-4-8-26(23)30)18-31-14-19-12-21(17-31)25-11-10-24(29(33)32(25)15-19)28-13-20-6-2-5-9-27(20)34-28/h2-11,13,16,19,21H,12,14-15,17-18H2,1H3/t19-,21+/m0/s1
InChI Key QHHIMBUXCDWULT-PZJWPPBQSA-N
Canonical SMILES CN1C=C(C2=CC=CC=C21)CN3CC4CC(C3)C5=CC=C(C(=O)N5C4)C6=CC7=CC=CC=C7S6
CAS
Splash
Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-benzo[b]thien-2-yl-1,2,3,4,5,6-hexahydro-3-[(1-methyl-1H-indol-3-yl)methyl]-, (1R,5S)-;
NAT11-286675

In Other Databases

ChemSpider 21380144
PubChem 40533390