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2-Amino-1-(4-fluorophenyl)-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

View entire compound with spectra: 2 NMR

2-Amino-1-(4-fluorophenyl)-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 1kZ7VGSlxy3
InChI InChI=1S/C23H20FN3O/c1-14-5-7-15(8-6-14)21-18(13-25)23(26)27(17-11-9-16(24)10-12-17)19-3-2-4-20(28)22(19)21/h5-12,21H,2-4,26H2,1H3
InChIKey YPPXRFBRLZCZCF-UHFFFAOYSA-N
Mol Weight 373.43 g/mol
Molecular Formula C23H20FN3O
Exact Mass 373.15904 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8zknbIHyVCl
Name 2-Amino-1-(4-fluorophenyl)-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.159040438 u
Formula C23H20FN3O
InChI InChI=1S/C23H20FN3O/c1-14-5-7-15(8-6-14)21-18(13-25)23(26)27(17-11-9-16(24)10-12-17)19-3-2-4-20(28)22(19)21/h5-12,21H,2-4,26H2,1H3
InChIKey YPPXRFBRLZCZCF-UHFFFAOYSA-N
Molecular Weight 373.431 g/mol
SMILES NC1=C(C(C2=C(CCCC2=O)N1C=1C=CC(F)=CC1)C1=CC=C(C=C1)C)C#N