1-(4-Chlorophenyl)-3-[(1R,9S)-6-oxo-11-(3-pyridinylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea

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Systematic / IUPAC Name: 1-(4-Chlorophenyl)-3-[(1R,9S)-6-oxo-11-(pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea

ID: Reference10017

Other Names: Urea, N-(4-chlorophenyl)-N'-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(3-pyridinylcarbonyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-292201

Formula: C24H22ClN5O3

Spectral Data

1-(4-Chlorophenyl)-3-[(1R,9S)-6-oxo-11-(3-pyridinylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea 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 2
No. of Spectra 3922
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 10/29/2020 3:41:04 PM
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Identificators

InChI InChI=1S/C24H22ClN5O3/c25-18-3-5-19(6-4-18)27-24(33)28-20-7-8-21-17-10-15(13-30(21)23(20)32)12-29(14-17)22(31)16-2-1-9-26-11-16/h1-9,11,15,17H,10,12-14H2,(H2,27,28,33)/t15-,17+/m0/s1
InChI Key XGPSTHDEGLRHPL-DOTOQJQBSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)NC4=CC=C(C=C4)Cl)C(=O)C5=CN=CC=C5
CAS
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Other Names Urea, N-(4-chlorophenyl)-N'-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(3-pyridinylcarbonyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-292201

In Other Databases

PubChem 7155575
ChemSpider 5495699