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Concept information

Preferred term

4 [4 [(1R,5S) 6 [(3 متوکسی فنیل) متیل] 3،6 دیازابیسیکلو [3.1.1] هپتان 7 یل] فنیل] بنزونیتریل  

Type

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

Broader concept

charge

  • 0

formula

  • C26H25N3O

inchi

  • InChI=1S/C26H25N3O/c1-30-23-4-2-3-19(13-23)17-29-24-15-28-16-25(29)26(24)22-11-9-21(10-12-22)20-7-5-18(14-27)6-8-20/h2-13,24-26,28H,15-17H2,1H3/t24-,25+,26?

inchikey

  • BJLUEZLHFPNGIB-IQCGEYIDSA-N

mass

  • 395.497

monoisotopicmass

  • 395.19976

smiles

  • COC1=CC=CC(=C1)CN2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CC=C(C=C5)C#N

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:130615

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