For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-cyclohexyl-2-phenyl-3-(m-chlorophenyl)-4-oxo-5-cyano-1,3-diazacyclopentane
SpectraBase Compound ID DbnyqQVRsGW
InChI InChI=1S/C22H22ClN3O/c23-17-11-13-19(14-12-17)26-21(16-7-3-1-4-8-16)25(20(15-24)22(26)27)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,20-21H,2,5-6,9-10H2
InChIKey MAFYTDCZZRMVEF-UHFFFAOYSA-N
Mol Weight 379.89 g/mol
Molecular Formula C22H22ClN3O
Exact Mass 379.14514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8wbKvTSFNOn
Name 1-cyclohexyl-2-phenyl-3-(m-chlorophenyl)-4-oxo-5-cyano-1,3-diazacyclopentane
CAS Registry Number 106689-92-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22ClN3O
InChI InChI=1S/C22H22ClN3O/c23-17-11-13-19(14-12-17)26-21(16-7-3-1-4-8-16)25(20(15-24)22(26)27)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,20-21H,2,5-6,9-10H2
InChIKey MAFYTDCZZRMVEF-UHFFFAOYSA-N
Molecular Weight 379.891 g/mol
SMILES C1(N(C(N(C1C#N)C1CCCCC1)c1ccccc1)c1ccc(cc1)Cl)=O
SPLASH splash10-004l-0790000000-dcac95a0b51550e59e29
Source of Spectrum F-42-2290-3
Synonyms 1-(4-Chlorophenyl)-3-cyclohexyl-5-oxo-2-phenyl-4-imidazolidinecarbonitrile 1-Cyclohexyl-2-phenyl-3-(4-chlorophenyl)-5-cyano-imidazolidin-4-one
Wiley ID 1359322