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3H-Pyrazol-3-one, 2-(6-fluoro-4-methyl-2-quinolinyl)-4-[1-(6-fluoro-4-methyl-2-quinolinyl)-3-methyl-1H-pyrazol-5-yl]-2,4-dihydro-5-methyl-
SpectraBase Compound ID IuaCrqrLRNX
InChI InChI=1S/C28H22F2N6O/c1-14-9-25(31-22-7-5-18(29)12-20(14)22)35-24(11-16(3)33-35)27-17(4)34-36(28(27)37)26-10-15(2)21-13-19(30)6-8-23(21)32-26/h5-13,37H,1-4H3
InChIKey FLSGQNBYPLQDNP-UHFFFAOYSA-N
Mol Weight 496.52 g/mol
Molecular Formula C28H22F2N6O
Exact Mass 496.182316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80euqNxHBqm
Name 3H-Pyrazol-3-one, 2-(6-fluoro-4-methyl-2-quinolinyl)-4-[1-(6-fluoro-4-methyl-2-quinolinyl)-3-methyl-1H-pyrazol-5-yl]-2,4-dihydro-5-methyl-
CAS Registry Number 99273-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22F2N6O
InChI InChI=1S/C28H22F2N6O/c1-14-9-25(31-22-7-5-18(29)12-20(14)22)35-24(11-16(3)33-35)27-17(4)34-36(28(27)37)26-10-15(2)21-13-19(30)6-8-23(21)32-26/h5-13,37H,1-4H3
InChIKey FLSGQNBYPLQDNP-UHFFFAOYSA-N
Molecular Weight 496.522 g/mol
SMILES Oc1c(-c2[n](-c3nc4ccc(cc4c(c3)C)F)nc(c2)C)c(n[n]1-c1nc2ccc(cc2c(c1)C)F)C
SPLASH splash10-0002-0310900000-1d30010ff84c3e238623
Source of Spectrum O-20-485-5
Synonyms 1,1'-bis-(6'-fluoro-4'-methyl-2'-quinolyl)-3,3'-dimethyl-(4,5'-bipyrazol)-5-ol 1-(6-fluoro-4-methylquinolin-2-yl)-4-[1-(6-fluoro-4-methylquinolin-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-methyl-1H-pyrazol-5-ol
Wiley ID 1398266