CHEBI:97474 - N-[(2S,4aR,12aR)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide

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ChEBI Name N-[(2S,4aR,12aR)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide
ChEBI ID CHEBI:97474
Stars This entity has been manually annotated by a third party.
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Formula C25H28FN3O5
Net Charge 0
Average Mass 469.506
Monoisotopic Mass 469.20130
InChI InChI=1S/C25H28FN3O5/c1-28(2)23(30)13-18-9-10-20-22(34-18)14-33-21-11-8-17(12-19(21)25(32)29(20)3)27-24(31)15-4-6-16(26)7-5-15/h4-8,11-12,18,20,22H,9-10,13-14H2,1-3H3,(H,27,31)/t18-,20+,22-/m0/s1
InChIKey VIDGDBZXEWMIQL-DWLFOUALSA-N
SMILES CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)CC(=O)N(C)C
ChEBI Ontology
Outgoing N-[(2S,4aR,12aR)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide (CHEBI:97474) is a carbonyl compound (CHEBI:36586)
N-[(2S,4aR,12aR)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide (CHEBI:97474) is a organohalogen compound (CHEBI:17792)
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