3-[(1R,9S)-11-(4-Methoxybenzyl)-6-oxo-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)-11-[(4-Methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile

ID: Reference10009

Other Names: Benzonitrile, 3-[(1R,5S)-1,3,4,5,6,8-hexahydro-3-[(4-methoxyphenyl)methyl]-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-287199

Formula: C26H25N3O2

Spectral Data

3-[(1R,9S)-11-(4-Methoxybenzyl)-6-oxo-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 425
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2020 8:49:04 AM
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Identificators

InChI InChI=1S/C26H25N3O2/c1-31-23-7-5-18(6-8-23)14-28-15-20-12-22(17-28)25-10-9-24(26(30)29(25)16-20)21-4-2-3-19(11-21)13-27/h2-11,20,22H,12,14-17H2,1H3/t20-,22+/m0/s1
InChI Key ZNQGMWRPSWIMRQ-RBBKRZOGSA-N
Canonical SMILES COC1=CC=C(C=C1)CN2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC=CC(=C5)C#N
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Other Names Benzonitrile, 3-[(1R,5S)-1,3,4,5,6,8-hexahydro-3-[(4-methoxyphenyl)methyl]-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-287199

In Other Databases

PubChem 7673840
ChemSpider 5987336