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3-(1H-indol-3-yl)-4-(4-morpholinophenyl)-2-phenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester
SpectraBase Compound ID CwUFDWksnf
InChI InChI=1S/C29H29N5O3/c1-2-37-29(35)27-31-34(23-8-4-3-5-9-23)28(25-20-30-26-11-7-6-10-24(25)26)33(27)22-14-12-21(13-15-22)32-16-18-36-19-17-32/h3-15,20,28,30H,2,16-19H2,1H3
InChIKey IFHKSMSTWTUXMD-UHFFFAOYSA-N
Mol Weight 495.58 g/mol
Molecular Formula C29H29N5O3
Exact Mass 495.22704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AxcDSM2e3I
Name 3-(1H-indol-3-yl)-4-(4-morpholinophenyl)-2-phenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester
Alternate Name(s) 3-(1H-indol-3-yl)-4-[4-(4-morpholinyl)phenyl]-2-phenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester Ethyl 3-(1H-indol-3-yl)-4-(4-morpholin-4-ylphenyl)-2-phenyl-3H-1,2,4-triazole-5-carboxylate Ethyl 3-(1H-indol-3-yl)-4-(4-morpholinophenyl)-2-phenyl-3H-1,2,4-triazole-5-carboxylate Ethyl 5-(1H-indol-3-yl)-4-[4-(4-morpholinyl)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
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Formula C29H29N5O3
InChI InChI=1S/C29H29N5O3/c1-2-37-29(35)27-31-34(23-8-4-3-5-9-23)28(25-20-30-26-11-7-6-10-24(25)26)33(27)22-14-12-21(13-15-22)32-16-18-36-19-17-32/h3-15,20,28,30H,2,16-19H2,1H3
InChIKey IFHKSMSTWTUXMD-UHFFFAOYSA-N
Molecular Weight 495.583 g/mol
SMILES [nH]1c2c(c(c1)C1N(C(=NN1c1ccccc1)C(=O)OCC)c1ccc(N3CCOCC3)cc1)cccc2
SPLASH splash10-0002-0131900000-c0af5c38a0c9ed743b37
Wiley ID 1454701