N-[(1R,9S)-6-Oxo-11-(2-thienylacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-thiophenecarboxamide

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Systematic / IUPAC Name: N-[(1R,9S)-6-Oxo-11-(2-thiophen-2-ylacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]thiophene-2-carboxamide

ID: Reference9967

Other Names: 2-Thiophenecarboxamide, N-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-[2-(2-thienyl)acetyl]-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-292082

Formula: C22H21N3O3S2

Spectral Data

N-[(1R,9S)-6-Oxo-11-(2-thienylacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-thiophenecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2542
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 10/1/2020 11:19:34 AM
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Identificators

InChI InChI=1S/C22H21N3O3S2/c26-20(10-16-3-1-7-29-16)24-11-14-9-15(13-24)18-6-5-17(22(28)25(18)12-14)23-21(27)19-4-2-8-30-19/h1-8,14-15H,9-13H2,(H,23,27)/t14-,15+/m0/s1
InChI Key NLANHVPJKXWKSY-LSDHHAIUSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=CS4)C(=O)CC5=CC=CS5
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Other Names 2-Thiophenecarboxamide, N-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-[2-(2-thienyl)acetyl]-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-292082

In Other Databases

PubChem 7155545
ChemSpider 5495683