Concept information
...
nitrogen molecular entity
organonitrogen compound
organonitrogen heterocyclic compound
quinolines
...
organic cyclic compound
organic heterocyclic compound
organonitrogen heterocyclic compound
quinolines
Preferred term
(1r,2ar,8br)-n-(3-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(2-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C25H23FN4O3
inchi
- InChI=1S/C25H23FN4O3/c26-16-6-5-8-18(12-16)28-25(33)29-14-21-24(19-9-1-2-10-20(19)29)22(15-31)30(21)23(32)13-17-7-3-4-11-27-17/h1-12,21-22,24,31H,13-15H2,(H,28,33)/t21-,22-,24+/m0/s1
inchikey
- PJKYSCCIDOXZLC-WPFOTENUSA-N
mass
- 446.474
monoisotopicmass
- 446.17542
smiles
- C1[C@H]2[C@H]([C@@H](N2C(=O)CC3=CC=CC=N3)CO)C4=CC=CC=C4N1C(=O)NC5=CC(=CC=C5)F
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:126027
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