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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > monocarboxylic acid amide > pyrrolidinecarboxamide > lsm-9681
organooxygen compound > carboxamide > monocarboxylic acid amide > pyrrolidinecarboxamide > lsm-9681
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > pyrrolidinecarboxamide > lsm-9681
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinecarboxamide > lsm-9681
organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinecarboxamide > lsm-9681
organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > pyrrolidinecarboxamide > lsm-9681

Preferred term

lsm-9681  

Type

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

Broader concept

charge

  • 0

formula

  • C30H32N4O3

inchi

  • InChI=1S/C30H32N4O3/c35-19-24-26-18-34-25(14-13-22(30(34)37)12-11-20-6-2-1-3-7-20)28(33(26)17-21-9-10-21)27(24)29(36)32-16-23-8-4-5-15-31-23/h1-8,11-15,21,24,26-28,35H,9-10,16-19H2,(H,32,36)/t24-,26-,27+,28+/m0/s1

inchikey

  • PXBRKQJFGKGCEB-GDWZEYGFSA-N

mass

  • 496.601

monoisotopicmass

  • 496.24744

smiles

  • C1CC1CN2[C@H]3CN4C(=CC=C(C4=O)C=CC5=CC=CC=C5)[C@@H]2[C@@H]([C@H]3CO)C(=O)NCC6=CC=CC=N6

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98302

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