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
(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.
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 |
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 | |
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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 |