N-[(1R,9S)-11-(4-Biphenylylcarbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide

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

ID: Reference9192

Other Names: Acetamide, N-[(1R,5S)-3-([1,1'-biphenyl]-4-ylcarbonyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-2-phenoxy-;
NAT11-291845

Formula: C32H29N3O4

Spectral Data

N-[(1R,9S)-11-(4-Biphenylylcarbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 3626
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/9/2019 9:47:21 AM
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Identificators

InChI InChI=1S/C32H29N3O4/c36-30(21-39-27-9-5-2-6-10-27)33-28-15-16-29-26-17-22(19-35(29)32(28)38)18-34(20-26)31(37)25-13-11-24(12-14-25)23-7-3-1-4-8-23/h1-16,22,26H,17-21H2,(H,33,36)/t22-,26+/m0/s1
InChI Key VXRKYTZZHBGVLQ-BKMJKUGQSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)COC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6
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Other Names Acetamide, N-[(1R,5S)-3-([1,1'-biphenyl]-4-ylcarbonyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-2-phenoxy-;
NAT11-291845

In Other Databases

PubChem 7155496
ChemSpider 5495654