(1R,9R)-5-(1-Benzothiophen-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

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Systematic / IUPAC Name: (1R,9R)-5-(1-Benzothiophen-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

ID: Reference10005

Other Names: 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, 9-benzo[b]thien-2-yl-1,5,6,8-tetrahydro-N-(2-methoxyphenyl)-8-oxo-, (1R,5R)-;
NAT11-284196

Formula: C27H25N3O3S

Spectral Data

(1R,9R)-5-(1-Benzothiophen-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide 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 1205
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2020 8:44:17 AM
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Identificators

InChI InChI=1S/C27H25N3O3S/c1-33-23-8-4-3-7-21(23)28-27(32)29-14-17-12-19(16-29)22-11-10-20(26(31)30(22)15-17)25-13-18-6-2-5-9-24(18)34-25/h2-11,13,17,19H,12,14-16H2,1H3,(H,28,32)/t17-,19+/m0/s1
InChI Key DQOSEGIWBIBBBQ-PKOBYXMFSA-N
Canonical SMILES COC1=CC=CC=C1NC(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC6=CC=CC=C6S5
CAS
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Other Names 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, 9-benzo[b]thien-2-yl-1,5,6,8-tetrahydro-N-(2-methoxyphenyl)-8-oxo-, (1R,5R)-;
NAT11-284196

In Other Databases

PubChem 7672465
ChemSpider 5986155