Concept information
...
nitrogen molecular entity
organonitrogen compound
organonitrogen heterocyclic compound
quinolines
...
organic cyclic compound
organic heterocyclic compound
organonitrogen heterocyclic compound
quinolines
Preferred term
1-[(3as,4s,9br)-8-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2h-pyrrolo[3,2-c]quinolin-1-yl]-2-(3-pyridinyl)ethanone
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C26H26FN3O2
inchi
- InChI=1S/C26H26FN3O2/c1-29-23-8-7-19(18-5-2-6-20(27)13-18)14-22(23)26-21(24(29)16-31)9-11-30(26)25(32)12-17-4-3-10-28-15-17/h2-8,10,13-15,21,24,26,31H,9,11-12,16H2,1H3/t21-,24-,26-/m1/s1
inchikey
- GPKOVPMMPCOHRN-YMVVMYQSSA-N
mass
- 431.503
monoisotopicmass
- 431.20091
smiles
- CN1[C@@H]([C@H]2CCN([C@H]2C3=C1C=CC(=C3)C4=CC(=CC=C4)F)C(=O)CC5=CN=CC=C5)CO
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:128581
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