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2-Amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-(2-furanyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
SpectraBase Compound ID 5TDLIe2vV6X
InChI InChI=1S/C23H17FN4O3/c24-14-5-3-12(4-6-14)22-16(11-27-28-22)20-15(10-25)23(26)31-19-9-13(8-17(29)21(19)20)18-2-1-7-30-18/h1-7,11,13,20H,8-9,26H2,(H,27,28)
InChIKey IKUFQUYTQASDDQ-UHFFFAOYSA-N
Mol Weight 416.41 g/mol
Molecular Formula C23H17FN4O3
Exact Mass 416.128469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1792FeiqSe
Name 2-Amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-(2-furanyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
Alternate Name(s) 2-Amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-(2-furyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile 2-Amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-(2-furyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile 2-Amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile 2-Azanyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-(furan-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile
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Formula C23H17FN4O3
InChI InChI=1S/C23H17FN4O3/c24-14-5-3-12(4-6-14)22-16(11-27-28-22)20-15(10-25)23(26)31-19-9-13(8-17(29)21(19)20)18-2-1-7-30-18/h1-7,11,13,20H,8-9,26H2,(H,27,28)
InChIKey IKUFQUYTQASDDQ-UHFFFAOYSA-N
Molecular Weight 416.412 g/mol
SMILES NC1=C(C(c2c[nH]nc2-c2ccc(cc2)F)C2=C(O1)CC(CC2=O)c1occc1)C#N
SPLASH splash10-014r-9320000000-4b799a0572709d1a0274
Wiley ID 1457938