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CHEBI:49748 - 1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-8-FLUORO-3-PHENYL-3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-2-YL}ETHANONE

Default Structure
ChEBI IDCHEBI:49748
ChEBI Name1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-8-FLUORO-3-PHENYL-3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-2-YL}ETHANONE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC27H31FN4O3
Net Charge0
Average Mass478.568
Monoisotopic Mass478.23802
SMILES[H]c1c([H])c([H])c([C@@]2(C([H])([H])C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C([H])([H])C3([H])[H])C(C(=O)C([H])([H])[H])=NN3c4c([H])c(F)c([H])c([H])c4OC([H])([H])[C@]32[H])c([H])c1[H]
InChIInChI=1S/C27H31FN4O3/c1-19(33)26-27(21-7-4-3-5-8-21,11-6-12-30-13-15-31(16-14-30)20(2)34)25-18-35-24-10-9-22(28)17-23(24)32(25)29-26/h3-5,7-10,17,25H,6,11-16,18H2,1-2H3/t25-,27+/m0/s1
InChIKeyBWKAHABETZLDBG-AHKZPQOWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-8-FLUORO-3-PHENYL-3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-2-YL}ETHANONE (CHEBI:49748) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-{(3R,3aR)-3-[3-(4-acetylpiperazin-1-yl)propyl]-8-fluoro-3-phenyl-3a,4-dihydro-3H-pyrazolo[5,1-c][1,4]benzoxazin-2-yl}ethanonePDBeChem
1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-8-FLUORO-3-PHENYL-3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-2-YL}ETHANONEPDBeChem
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