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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 > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > 1-[[(2r,3r)-10-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > 1-[[(2r,3r)-10-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > amine > alkylamines > dialkylarylamine > 1-[[(2r,3r)-10-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > amine > alkylamines > dialkylarylamine > 1-[[(2r,3r)-10-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Preferred term

1-[[(2r,3r)-10-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C22H36N4O4

inchi

  • InChI=1S/C22H36N4O4/c1-14(2)23-22(29)25(7)12-19-15(3)11-26(16(4)13-27)21(28)17-9-8-10-18(24(5)6)20(17)30-19/h8-10,14-16,19,27H,11-13H2,1-7H3,(H,23,29)/t15-,16+,19+/m1/s1

inchikey

  • XZXNUYDCQDAXAA-GJYPPUQNSA-N

mass

  • 420.546

monoisotopicmass

  • 420.27366

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111472

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