Methyl 2,7,7-trimethyl-5-oxo-4-[3-(2-thienyl)-1H-pyrazol-4-yl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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Systematic / IUPAC Name: Methyl 2,7,7-trimethyl-5-oxo-4-[5-(2-thienyl)-1H-pyrazol-4-yl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

ID: Reference6704

Other Names: Methyl 2,7,7-trimethyl-5-oxo-4-[3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate;
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[5-(2-thienyl)-1H-pyrazol-4-yl]-, methyl ester

Formula: C21H23N3O3S

Spectral Data

Methyl 2,7,7-trimethyl-5-oxo-4-[3-(2-thienyl)-1H-pyrazol-4-yl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 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 8/10/2017 6:47:50 AM
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Identificators

InChI InChI=1S/C21H23N3O3S/c1-11-16(20(26)27-4)17(12-10-22-24-19(12)15-6-5-7-28-15)18-13(23-11)8-21(2,3)9-14(18)25/h5-7,10,17,23H,8-9H2,1-4H3,(H,22,24)
InChI Key UONKPWVDWQNDTI-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(NN=C3)C4=CC=CS4)C(=O)OC
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Other Names Methyl 2,7,7-trimethyl-5-oxo-4-[3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate;
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[5-(2-thienyl)-1H-pyrazol-4-yl]-, methyl ester

In Other Databases

ChemSpider 2090135
PubChem 2811725