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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 > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > n-(2-aminophenyl)-4-[[[(2s,3s)-8-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
... > organooxygen compound > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > n-(2-aminophenyl)-4-[[[(2s,3s)-8-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > n-(2-aminophenyl)-4-[[[(2s,3s)-8-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

Preferred term

n-(2-aminophenyl)-4-[[[(2s,3s)-8-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide  

Type

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

Broader concept

charge

  • 0

formula

  • C32H41N5O4

inchi

  • InChI=1S/C32H41N5O4/c1-21-17-37(22(2)20-38)32(40)26-16-25(35(3)4)14-15-29(26)41-30(21)19-36(5)18-23-10-12-24(13-11-23)31(39)34-28-9-7-6-8-27(28)33/h6-16,21-22,30,38H,17-20,33H2,1-5H3,(H,34,39)/t21-,22+,30+/m0/s1

inchikey

  • QVMJLFZOFFUGMH-IABYTQIASA-N

mass

  • 559.700

monoisotopicmass

  • 559.31585

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)C(=O)NC4=CC=CC=C4N)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129004

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