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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 > lsm-9594
organooxygen compound > lsm-9594

Preferred term

lsm-9594  

Type

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

Broader concept

charge

  • 0

formula

  • C23H29N5O3

has_functional_parent

inchi

  • InChI=1S/C23H29N5O3/c29-12-17-18-11-28-19(7-6-16(23(28)31)15-9-24-13-25-10-15)21(27-18)20(17)22(30)26-8-14-4-2-1-3-5-14/h6-7,9-10,13-14,17-18,20-21,27,29H,1-5,8,11-12H2,(H,26,30)/t17-,18-,20+,21+/m0/s1

inchikey

  • CMFJQPXRJRRAOF-FMWKFLBASA-N

mass

  • 423.509

monoisotopicmass

  • 423.22704

smiles

  • C1CCC(CC1)CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CN=CN=C5)[C@H]2N3)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98215

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