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

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Systematic / IUPAC Name: 4-Cyano-N-[(1R,9S)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide

ID: Reference10013

Other Names: Benzamide, 4-cyano-N-[(1R,5S)-1,3,4,5,6,8-hexahydro-3-(2-naphthalenylcarbonyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-291798

Formula: C30H24N4O3

Spectral Data

4-Cyano-N-[(1R,9S)-11-(2-naphthoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide 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 2
No. of Spectra 3092
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/29/2020 3:31:37 PM
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Identificators

InChI InChI=1S/C30H24N4O3/c31-15-19-5-7-22(8-6-19)28(35)32-26-11-12-27-25-13-20(17-34(27)30(26)37)16-33(18-25)29(36)24-10-9-21-3-1-2-4-23(21)14-24/h1-12,14,20,25H,13,16-18H2,(H,32,35)/t20-,25+/m0/s1
InChI Key JZFSWAGAVBTXAA-NBGIEHNGSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=C(C=C4)C#N)C(=O)C5=CC6=CC=CC=C6C=C5
CAS
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Other Names Benzamide, 4-cyano-N-[(1R,5S)-1,3,4,5,6,8-hexahydro-3-(2-naphthalenylcarbonyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-291798

In Other Databases

ChemSpider 5495643
PubChem 7155478