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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organochlorine compound > chlorobenzenes > dichlorobenzene > (2s,3r)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2h-1,5-benzoxazocin-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > dichlorobenzene > (2s,3r)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2h-1,5-benzoxazocin-6-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > dichlorobenzene > (2s,3r)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2h-1,5-benzoxazocin-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > dichlorobenzene > (2s,3r)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2h-1,5-benzoxazocin-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > dichlorobenzene > (2s,3r)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2h-1,5-benzoxazocin-6-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > dichlorobenzene > (2s,3r)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2h-1,5-benzoxazocin-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > dichlorobenzene > (2s,3r)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2h-1,5-benzoxazocin-6-one

Preferred term

(2s,3r)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2h-1,5-benzoxazocin-6-one  

Type

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

Broader concept

charge

  • 0

formula

  • C25H33Cl2N3O3

inchi

  • InChI=1S/C25H33Cl2N3O3/c1-16-12-30(17(2)15-31)25(32)20-11-19(28(3)4)7-9-23(20)33-24(16)14-29(5)13-18-6-8-21(26)22(27)10-18/h6-11,16-17,24,31H,12-15H2,1-5H3/t16-,17+,24-/m1/s1

inchikey

  • QSGCCBXTIZPHMD-XVTZWQNCSA-N

mass

  • 494.455

monoisotopicmass

  • 493.18990

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:113602

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