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N-Cyclohexyl 4-benzyl-2-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro-1H-1,4-diazepine-3-carboxamide
SpectraBase Compound ID HYP3ZAvxawj
InChI InChI=1S/C25H28FN3O2/c26-20-13-11-19(12-14-20)23-24(25(31)28-21-9-5-2-6-10-21)29(22(30)15-16-27-23)17-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,21,27H,2,5-6,9-10,15-17H2,(H,28,31)
InChIKey DIUIFQQRDTZHTM-UHFFFAOYSA-N
Mol Weight 421.52 g/mol
Molecular Formula C25H28FN3O2
Exact Mass 421.216555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dPtPeOcBIe
Name N-Cyclohexyl 4-benzyl-2-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro-1H-1,4-diazepine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28FN3O2
InChI InChI=1S/C25H28FN3O2/c26-20-13-11-19(12-14-20)23-24(25(31)28-21-9-5-2-6-10-21)29(22(30)15-16-27-23)17-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,21,27H,2,5-6,9-10,15-17H2,(H,28,31)
InChIKey DIUIFQQRDTZHTM-UHFFFAOYSA-N
Molecular Weight 421.516 g/mol
SMILES N1CCC(N(C(C(NC2CCCCC2)=O)=C1c1ccc(cc1)F)Cc1ccccc1)=O
SPLASH splash10-004i-2092100000-9a760fcd9e882b700fb6
Source of Spectrum F-66-6785-6a
Wiley ID 1684243