Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3GA4O
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| Ligand Name |
1-((3S,3aS)-3-(3-Fluoro-4-(trifluoromethoxy)phenyl)-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl)-2-hydroxyethanone
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| Synonyms |
Nec-3a; 1504558-72-8; 1-((3S,3aS)-3-(3-Fluoro-4-(trifluoromethoxy)phenyl)-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl)-2-hydroxyethanone; 1-{(3s,3as)-3-[3-Fluoro-4-(Trifluoromethoxy)phenyl]-8-Methoxy-3,3a,4,5-Tetrahydro-2h-Benzo[g]indazol-2-Yl}-2-Hydroxyethanone; 4iti; SCHEMBL21085187; Ethanone, 1-[(3S,3aS)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,3a,4,5-tetrahydro-8-methoxy-2H-benz[g]indazol-2-yl]-2-hydroxy-; HY-18899; CS-0014573; Q27452090
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| Structure |
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Download2D MOL |
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| Formula |
C21H18F4N2O4
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| Canonical SMILES |
COC1=CC2=C(CCC3C2=NN(C3C4=CC(=C(C=C4)OC(F)(F)F)F)C(=O)CO)C=C1
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| InChI |
1S/C21H18F4N2O4/c1-30-13-5-2-11-3-6-14-19(15(11)9-13)26-27(18(29)10-28)20(14)12-4-7-17(16(22)8-12)31-21(23,24)25/h2,4-5,7-9,14,20,28H,3,6,10H2,1H3/t14-,20-/m1/s1
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| InChIKey |
RPGVJSZQQKMKSB-JLTOFOAXSA-N
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| PubChem Compound ID | ||||
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