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

ID: Reference10007

Other Names: Benzonitrile, 3-[(1R,5S)-1,3,4,5,6,8-hexahydro-3-(1-methyl-4-piperidinyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-287220

Formula: C24H28N4O

Spectral Data

3-[(1R,9S)-11-(1-Methyl-4-piperidinyl)-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 138
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2020 8:46:51 AM
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Identificators

InChI InChI=1S/C24H28N4O/c1-26-9-7-21(8-10-26)27-14-18-12-20(16-27)23-6-5-22(24(29)28(23)15-18)19-4-2-3-17(11-19)13-25/h2-6,11,18,20-21H,7-10,12,14-16H2,1H3/t18-,20+/m0/s1
InChI Key VAXLPEWHHDJBSE-AZUAARDMSA-N
Canonical SMILES CN1CCC(CC1)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC=CC(=C5)C#N
CAS
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Other Names Benzonitrile, 3-[(1R,5S)-1,3,4,5,6,8-hexahydro-3-(1-methyl-4-piperidinyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-287220

In Other Databases

PubChem 7673867
ChemSpider 5987357