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2-Amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-keto-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SpectraBase Compound ID HK597GpczRi
InChI InChI=1S/C25H19FN4O2/c26-17-8-6-15(7-9-17)24-19(13-29-30-24)22-18(12-27)25(28)32-21-11-16(10-20(31)23(21)22)14-4-2-1-3-5-14/h1-9,13,16,22H,10-11,28H2,(H,29,30)
InChIKey MTXLHOVGCJYXCO-UHFFFAOYSA-N
Mol Weight 426.45 g/mol
Molecular Formula C25H19FN4O2
Exact Mass 426.149204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XK0hfv4ic6
Name 2-Amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-keto-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19FN4O2
InChI InChI=1S/C25H19FN4O2/c26-17-8-6-15(7-9-17)24-19(13-29-30-24)22-18(12-27)25(28)32-21-11-16(10-20(31)23(21)22)14-4-2-1-3-5-14/h1-9,13,16,22H,10-11,28H2,(H,29,30)
InChIKey MTXLHOVGCJYXCO-UHFFFAOYSA-N
Molecular Weight 426.451 g/mol
SMILES NC1=C(C(c2c[nH]nc2-c2ccc(cc2)F)C2=C(O1)CC(CC2=O)c1ccccc1)C#N
SPLASH splash10-014r-9520000000-50a43d85c7f4a3a94236
Synonyms 2-Amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile 2-Amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile 2-Azanyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Wiley ID 1457939