N-{4-[(1R,9S)-6-Oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl}acetamide

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Systematic / IUPAC Name: N-[4-[(1R,9S)-6-Oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide

ID: Reference10208

Other Names: Acetamide, N-[4-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(3-phenylpropyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-11-yl]phenyl]-;
NAT11-290282

Formula: C28H31N3O2

Spectral Data

N-{4-[(1R,9S)-6-Oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl}acetamide 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 259
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 1/29/2021 2:54:37 PM
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Identificators

InChI InChI=1S/C28H31N3O2/c1-20(32)29-25-11-9-23(10-12-25)26-13-14-27(33)31-18-22-16-24(28(26)31)19-30(17-22)15-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-14,22,24H,5,8,15-19H2,1H3,(H,29,32)/t22-,24+/m0/s1
InChI Key FXUYCCHNWOGGKZ-LADGPHEKSA-N
Canonical SMILES CC(=O)NC1=CC=C(C=C1)C2=C3C4CC(CN(C4)CCCC5=CC=CC=C5)CN3C(=O)C=C2
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Other Names Acetamide, N-[4-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(3-phenylpropyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-11-yl]phenyl]-;
NAT11-290282

In Other Databases

PubChem 7682271
ChemSpider 5995065