dibenzyl 4-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

SpectraBase Compound ID	LCLc64XbX7A
InChI	InChI=1S/C38H32FN3O4/c1-25-33(37(43)45-23-27-12-6-3-7-13-27)35(34(26(2)40-25)38(44)46-24-28-14-8-4-9-15-28)32-22-42(31-16-10-5-11-17-31)41-36(32)29-18-20-30(39)21-19-29/h3-22,35,40H,23-24H2,1-2H3
InChIKey	DYUWGFUMTJZZJL-UHFFFAOYSA-N Google Search
Mol Weight	613.7 g/mol
Molecular Formula	C38H32FN3O4
Exact Mass	613.237685 g/mol

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SpectraBase Spectrum ID	94RYtCCFrVx
Name	Dibenzyl 4-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	613.237684681 u
Formula	C38H32FN3O4
InChI	InChI=1S/C38H32FN3O4/c1-25-33(37(43)45-23-27-12-6-3-7-13-27)35(34(26(2)40-25)38(44)46-24-28-14-8-4-9-15-28)32-22-42(31-16-10-5-11-17-31)41-36(32)29-18-20-30(39)21-19-29/h3-22,35,40H,23-24H2,1-2H3
InChIKey	DYUWGFUMTJZZJL-UHFFFAOYSA-N
Molecular Weight	613.689 g/mol
SMILES	N1C(=C(C(C(=C1C)C(OCC1=CC=CC=C1)=O)C=1C(=NN(C1)C=1C=CC=CC1)C=1C=CC(=CC1)F)C(OCC1=CC=CC=C1)=O)C