(1R,9S)-11-(1-Acetyl-4-piperidinyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-11-(1-Acetylpiperidin-4-yl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10077

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(1-acetyl-4-piperidinyl)-1,2,3,4,5,6-hexahydro-9-(2-methylphenyl)-, (1R,5S)-;
NAT11-304090

Formula: C25H31N3O2

Spectral Data

(1R,9S)-11-(1-Acetyl-4-piperidinyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 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 1118
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/19/2020 10:27:26 AM
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Identificators

InChI InChI=1S/C25H31N3O2/c1-17-5-3-4-6-22(17)23-7-8-24-20-13-19(15-28(24)25(23)30)14-27(16-20)21-9-11-26(12-10-21)18(2)29/h3-8,19-21H,9-16H2,1-2H3/t19-,20+/m0/s1
InChI Key SIWWALNXNYSSSP-VQTJNVASSA-N
Canonical SMILES CC1=CC=CC=C1C2=CC=C3C4CC(CN(C4)C5CCN(CC5)C(=O)C)CN3C2=O
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(1-acetyl-4-piperidinyl)-1,2,3,4,5,6-hexahydro-9-(2-methylphenyl)-, (1R,5S)-;
NAT11-304090

In Other Databases

PubChem 11941369
ChemSpider 10115688