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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 > amide > primary amide > ureas > 1-[(2s,3s)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea

Preferred term

1-[(2s,3s)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C24H29F3N4O4

inchi

  • InChI=1S/C24H29F3N4O4/c1-14-12-31(15(2)13-32)22(33)19-10-18(8-9-20(19)35-21(14)11-28-3)30-23(34)29-17-6-4-16(5-7-17)24(25,26)27/h4-10,14-15,21,28,32H,11-13H2,1-3H3,(H2,29,30,34)/t14-,15-,21+/m0/s1

inchikey

  • KCNSNDYEXGJQPQ-VFCRVFHLSA-N

mass

  • 494.508

monoisotopicmass

  • 494.21409

smiles

  • C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)O[C@@H]1CNC)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:124195

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