3-[(1R,9S)-6-Oxo-11-(3-quinolinylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile

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Systematic / IUPAC Name: 3-[(1R,9S)-6-Oxo-11-(quinolin-3-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile

ID: Reference10037

Other Names: Benzonitrile, 3-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(3-quinolinylmethyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-287202

Formula: C28H24N4O

Spectral Data

3-[(1R,9S)-6-Oxo-11-(3-quinolinylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]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 1
No. of Spectra 961
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 6/29/2023 10:14:16 AM
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Identificators

InChI InChI=1S/C28H24N4O/c29-13-19-4-3-6-22(10-19)25-8-9-27-24-12-21(17-32(27)28(25)33)16-31(18-24)15-20-11-23-5-1-2-7-26(23)30-14-20/h1-11,14,21,24H,12,15-18H2/t21-,24+/m0/s1
InChI Key FCKLPIYAAGMNOE-XUZZJYLKSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=CC(=C4)C#N)CC5=CC6=CC=CC=C6N=C5
CAS
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Other Names Benzonitrile, 3-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(3-quinolinylmethyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-287202

In Other Databases

PubChem 28990679
ChemSpider 21380161