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

ID: Reference10008

Other Names: Benzonitrile, 3-[(1R,5S)-3-(1-acetyl-4-piperidinyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-304107

Formula: C25H28N4O2

Spectral Data

3-[(1R,9S)-11-(1-Acetyl-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 1335
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2020 8:48:00 AM
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Identificators

InChI InChI=1S/C25H28N4O2/c1-17(30)27-9-7-22(8-10-27)28-14-19-12-21(16-28)24-6-5-23(25(31)29(24)15-19)20-4-2-3-18(11-20)13-26/h2-6,11,19,21-22H,7-10,12,14-16H2,1H3/t19-,21+/m0/s1
InChI Key WWNFOAMZCHTPLA-PZJWPPBQSA-N
Canonical SMILES CC(=O)N1CCC(CC1)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC=CC(=C5)C#N
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Other Names Benzonitrile, 3-[(1R,5S)-3-(1-acetyl-4-piperidinyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-304107

In Other Databases

PubChem 7673889
ChemSpider 5987379