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N(1)-{4'-[3"-Oxo-4"-(p-fluorophenyl)-3",3"a,4",5"-tetrahydro-2"-methyl-(2H)-6"-indazolyl)]phenyl}-5-chloro-2-methoxybenzamide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N(1)-{4'-[3"-Oxo-4"-(p-fluorophenyl)-3",3"a,4",5"-tetrahydro-2"-methyl-(2H)-6"-indazolyl)]phenyl}-5-chloro-2-methoxybenzamide
SpectraBase Compound ID B9GqT9PeDCZ
InChI InChI=1S/C28H23ClFN3O3/c1-33-28(35)26-22(17-3-8-20(30)9-4-17)13-18(14-24(26)32-33)16-5-10-21(11-6-16)31-27(34)23-15-19(29)7-12-25(23)36-2/h3-13,15,22,26H,14H2,1-2H3,(H,31,34)/t22?,26-/m0/s1
InChIKey FEVYFRCPLBSEIF-XGCAABAXSA-N
Mol Weight 503.96 g/mol
Molecular Formula C28H23ClFN3O3
Exact Mass 503.141197 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H8LtIKtcjjW
Name N(1)-{4'-[3''-oxo-4''-(p-fluorophenyl)-3'',3''A,4'',5''-tetrahydro-2''-methyl-(2H)-6''-indazolyl)]phenyl}-5-chloro-2-methoxybenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 503.141197473 u
Formula C28H23ClFN3O3
InChI InChI=1S/C28H23ClFN3O3/c1-33-28(35)26-22(17-3-8-20(30)9-4-17)13-18(14-24(26)32-33)16-5-10-21(11-6-16)31-27(34)23-15-19(29)7-12-25(23)36-2/h3-13,15,22,26H,14H2,1-2H3,(H,31,34)/t22?,26-/m0/s1
InChIKey FEVYFRCPLBSEIF-XGCAABAXSA-N
Molecular Weight 503.961 g/mol
SMILES [C@]12(C(=NN(C2=O)C)CC(=CC1C1=CC=C(C=C1)F)C1=CC=C(NC(C=2C(=CC=C(C2)Cl)OC)=O)C=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911891