(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(5-pyrimidinylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-5-[(E)-2-(4-Chlorophenyl)ethenyl]-11-(pyrimidine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10185

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,3,4,5,6-hexahydro-3-(5-pyrimidinylcarbonyl)-, (1R,5S)-;
NAT11-304260

Formula: C24H21ClN4O2

Spectral Data

(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(5-pyrimidinylcarbonyl)-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 1284
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2021 2:27:54 PM
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Identificators

InChI InChI=1S/C24H21ClN4O2/c25-21-6-2-16(3-7-21)1-4-18-5-8-22-19-9-17(13-29(22)24(18)31)12-28(14-19)23(30)20-10-26-15-27-11-20/h1-8,10-11,15,17,19H,9,12-14H2/b4-1+/t17-,19+/m0/s1
InChI Key BJXMZYMKBOSHHL-LOXCNFCFSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C=CC4=CC=C(C=C4)Cl)C(=O)C5=CN=CN=C5
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,3,4,5,6-hexahydro-3-(5-pyrimidinylcarbonyl)-, (1R,5S)-;
NAT11-304260

In Other Databases

PubChem 11886484
ChemSpider 10060807