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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > n-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > n-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide

Preferred term

n-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H21N5O3S

inchi

  • InChI=1S/C18H21N5O3S/c1-11-6-8-22(9-7-11)14-5-4-13(10-15(14)23(25)26)16(24)19-18-21-20-17(27-18)12-2-3-12/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,21,24)

inchikey

  • ZZCCRPWAWNJPJW-UHFFFAOYSA-N

mass

  • 387.458

monoisotopicmass

  • 387.13651

smiles

  • CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4)[N+](=O)[O-]

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112189

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