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

ID: Reference9687

Other Names: Urea, N-(4-chlorophenyl)-N'-[1,3,4,5,6,8-hexahydro-3-(4-methoxybenzoyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-274710

Formula: C26H25ClN4O4

Spectral Data

1-(4-Chlorophenyl)-3-[11-(4-methoxybenzoyl)-6-oxo-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 1
No. of Spectra 835
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2020 12:31:00 PM
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Identificators

InChI InChI=1S/C26H25ClN4O4/c1-35-21-8-2-17(3-9-21)24(32)30-13-16-12-18(15-30)23-11-10-22(25(33)31(23)14-16)29-26(34)28-20-6-4-19(27)5-7-20/h2-11,16,18H,12-15H2,1H3,(H2,28,29,34)
InChI Key ATQPYYMKNYNFAG-UHFFFAOYSA-N
Canonical SMILES COC1=CC=C(C=C1)C(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)NC(=O)NC5=CC=C(C=C5)Cl
CAS
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Other Names Urea, N-(4-chlorophenyl)-N'-[1,3,4,5,6,8-hexahydro-3-(4-methoxybenzoyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-274710

In Other Databases

PubChem 4984211
ChemSpider 4164535