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2-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

View entire compound with spectra: 2 NMR

2-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 9db1keKUH6b
InChI InChI=1S/C22H21ClN4O2/c1-12-17(20(23)27(26-12)13-7-5-4-6-8-13)18-14(11-24)21(25)29-16-10-22(2,3)9-15(28)19(16)18/h4-8,18H,9-10,25H2,1-3H3
InChIKey CURXECZFPFVPRY-UHFFFAOYSA-N
Mol Weight 408.89 g/mol
Molecular Formula C22H21ClN4O2
Exact Mass 408.135304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jShmpIt7Tt
Name 2-Amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.135303630 u
Formula C22H21ClN4O2
InChI InChI=1S/C22H21ClN4O2/c1-12-17(20(23)27(26-12)13-7-5-4-6-8-13)18-14(11-24)21(25)29-16-10-22(2,3)9-15(28)19(16)18/h4-8,18H,9-10,25H2,1-3H3
InChIKey CURXECZFPFVPRY-UHFFFAOYSA-N
Molecular Weight 408.889 g/mol
SMILES NC1=C(C(C2=C(N(C=3C=CC=CC3)N=C2C)Cl)C2=C(O1)CC(CC2=O)(C)C)C#N