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Chemistry, part 1

Content language

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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 > cyanides > nitrile > 4-[4-[(2r,3r)-1-acetyl-6-[cyclopropyl(oxo)methyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile

Preferred term

4-[4-[(2r,3r)-1-acetyl-6-[cyclopropyl(oxo)methyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C25H25N3O3

inchi

  • InChI=1S/C25H25N3O3/c1-16(30)28-22(13-29)23(25(28)14-27(15-25)24(31)21-10-11-21)20-8-6-19(7-9-20)18-4-2-17(12-26)3-5-18/h2-9,21-23,29H,10-11,13-15H2,1H3/t22-,23+/m0/s1

inchikey

  • QRUIMFSAEGDYOH-XZOQPEGZSA-N

mass

  • 415.485

monoisotopicmass

  • 415.18959

smiles

  • CC(=O)N1[C@H]([C@H](C12CN(C2)C(=O)C3CC3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127348

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