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6-Amino-4-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

View entire compound with spectra: 1 MS (GC)

6-Amino-4-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID DZzUFfGOPKN
InChI InChI=1S/C20H13ClN4O3/c21-12-4-1-10(2-5-12)18-17-16(11-3-6-14-15(7-11)27-9-26-14)13(8-22)19(23)28-20(17)25-24-18/h1-7,16H,9,23H2,(H,24,25)
InChIKey AFJDPXSENYXIHZ-UHFFFAOYSA-N
Mol Weight 392.8 g/mol
Molecular Formula C20H13ClN4O3
Exact Mass 392.067618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZvt5drKd2Y
Name 6-Amino-4-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13ClN4O3
InChI InChI=1S/C20H13ClN4O3/c21-12-4-1-10(2-5-12)18-17-16(11-3-6-14-15(7-11)27-9-26-14)13(8-22)19(23)28-20(17)25-24-18/h1-7,16H,9,23H2,(H,24,25)
InChIKey AFJDPXSENYXIHZ-UHFFFAOYSA-N
Molecular Weight 392.802 g/mol
SMILES NC1=C(C(c2c(O1)[nH]nc2-c1ccc(cc1)Cl)c1cc2OCOc2cc1)C#N
SPLASH splash10-00rf-9410000000-2b0623401f586d019b69
Synonyms 6-Amino-4-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-Azanyl-4-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Wiley ID 1453489