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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 > cyanides > nitrile > 4-[4-[(6s,7r,8r)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile

Preferred term

4-[4-[(6s,7r,8r)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C20H19N3O2

inchi

  • InChI=1S/C20H19N3O2/c21-9-13-1-3-14(4-2-13)15-5-7-16(8-6-15)20-17-10-22-11-19(25)23(17)18(20)12-24/h1-8,17-18,20,22,24H,10-12H2/t17-,18+,20-/m1/s1

inchikey

  • OUKAGPBTRJAGIF-WSTZPKSXSA-N

mass

  • 333.385

monoisotopicmass

  • 333.14773

smiles

  • C1[C@@H]2[C@H]([C@@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126557

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