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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-[[(2r,3s)-8-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea

Preferred term

1-[[(2r,3s)-8-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C25H33FN4O4

inchi

  • InChI=1S/C25H33FN4O4/c1-16-13-30(17(2)15-31)24(32)21-12-20(28(3)4)10-11-22(21)34-23(16)14-29(5)25(33)27-19-8-6-18(26)7-9-19/h6-12,16-17,23,31H,13-15H2,1-5H3,(H,27,33)/t16-,17+,23-/m0/s1

inchikey

  • FXKMHYTYNRWQSP-MFEFFIJZSA-N

mass

  • 472.553

monoisotopicmass

  • 472.24858

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111563

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