4-{[(1R,9S)-5-(2-Naphthyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]carbonyl}benzonitrile

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Systematic / IUPAC Name: 4-[(1R,9S)-5-Naphthalen-2-yl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]benzonitrile

ID: Reference10011

Other Names: Benzonitrile, 4-[[(1R,5S)-1,5,6,8-tetrahydro-9-(2-naphthalenyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl]-;
NAT11-283813

Formula: C29H23N3O2

Spectral Data

4-{[(1R,9S)-5-(2-Naphthyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]carbonyl}benzonitrile 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 779
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/29/2020 3:28:29 PM
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Identificators

InChI InChI=1S/C29H23N3O2/c30-15-19-5-7-22(8-6-19)28(33)31-16-20-13-25(18-31)27-12-11-26(29(34)32(27)17-20)24-10-9-21-3-1-2-4-23(21)14-24/h1-12,14,20,25H,13,16-18H2/t20-,25+/m0/s1
InChI Key WTUAKVRYCSWZBD-NBGIEHNGSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)C#N
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Other Names Benzonitrile, 4-[[(1R,5S)-1,5,6,8-tetrahydro-9-(2-naphthalenyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl]-;
NAT11-283813

In Other Databases

ChemSpider 10059473
PubChem 11885145