Methyl 2-{4-[(cyclohexylamino)carbonyl]-1,4-diazepan-1-yl}-4-(trifluoromethyl)-5-pyrimidinecarboxylate

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Systematic / IUPAC Name: Methyl 2-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]-4-(trifluoromethyl)-5-pyrimidinecarboxylate

ID: Reference6697

Other Names: 5-Pyrimidinecarboxylic acid, 2-{4-[(cyclohexylamino)carbonyl]hexahydro-1H-1,4-diazepin-1-yl}-4-(trifluoromethyl)-, methyl ester

Formula: C19H26F3N5O3

Spectral Data

Methyl 2-{4-[(cyclohexylamino)carbonyl]-1,4-diazepan-1-yl}-4-(trifluoromethyl)-5-pyrimidinecarboxylate 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/9/2017 11:24:45 AM
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Identificators

InChI InChI=1S/C19H26F3N5O3/c1-30-16(28)14-12-23-17(25-15(14)19(20,21)22)26-8-5-9-27(11-10-26)18(29)24-13-6-3-2-4-7-13/h12-13H,2-11H2,1H3,(H,24,29)
InChI Key MBENDHPKIWLGEM-UHFFFAOYSA-N
Canonical SMILES COC(=O)C1=CN=C(N=C1C(F)(F)F)N2CCCN(CC2)C(=O)NC3CCCCC3
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Other Names 5-Pyrimidinecarboxylic acid, 2-{4-[(cyclohexylamino)carbonyl]hexahydro-1H-1,4-diazepin-1-yl}-4-(trifluoromethyl)-, methyl ester

In Other Databases

PubChem 2811311
ChemSpider 2089723