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2-Cyano-N-[5-(1-methyl-1H-indole-3-carbonyl)-2-phenyl-2H-1,2,3-triazol-4-yl]acetamide
SpectraBase Compound ID 7u04gWXmzxo
InChI InChI=1S/C21H16N6O2/c1-26-13-16(15-9-5-6-10-17(15)26)20(29)19-21(23-18(28)11-12-22)25-27(24-19)14-7-3-2-4-8-14/h2-10,13H,11H2,1H3,(H,23,25,28)
InChIKey LEDJJJUVLMNVGH-UHFFFAOYSA-N
Mol Weight 384.4 g/mol
Molecular Formula C21H16N6O2
Exact Mass 384.133474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2GRiFWSjIo
Name 2-Cyano-N-[5-(1-methyl-1H-indole-3-carbonyl)-2-phenyl-2H-1,2,3-triazol-4-yl]acetamide
Alternate Name(s) 2-cyano-N-[5-[(1-methyl-3-indolyl)-oxomethyl]-2-phenyl-4-triazolyl]acetamide 2-cyano-N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]acetamide 2-cyano-N-[5-(1-methylindol-3-yl)carbonyl-2-phenyl-1,2,3-triazol-4-yl]ethanamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N6O2
InChI InChI=1S/C21H16N6O2/c1-26-13-16(15-9-5-6-10-17(15)26)20(29)19-21(23-18(28)11-12-22)25-27(24-19)14-7-3-2-4-8-14/h2-10,13H,11H2,1H3,(H,23,25,28)
InChIKey LEDJJJUVLMNVGH-UHFFFAOYSA-N
Molecular Weight 384.399 g/mol
SMILES N(c1c(n[n](-c2ccccc2)n1)C(c1c[n](C)c2c1cccc2)=O)C(CC#N)=O
SPLASH splash10-001i-0009000000-839199c8e32e9b4de887
Source of Spectrum F2-46-1817-5a
Wiley ID 1703995