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Concept information

Preferred term

trans-(1s,2r)-sedaxane  

Type

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

charge

  • 0

formula

  • C18H19F2N3O

inchi

  • InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)/t12-,13-/m0/s1

inchikey

  • XQJQCBDIXRIYRP-STQMWFEESA-N

is_enantiomer_of

mass

  • 331.35980

monoisotopicmass

  • 331.14962

smiles

  • Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@H]2C2CC2)c(n1)C(F)F

subset

  • 3_STAR

synonym EXACT

  • N-{2-[(1S,2R)-1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:83178

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