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2-Amino-5-keto-4-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile

View entire compound with spectra: 1 MS (GC)

2-Amino-5-keto-4-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SpectraBase Compound ID DR8IiuX3Fu3
InChI InChI=1S/C21H16F3N3OS/c22-21(23,24)12-4-1-5-13(10-12)27-15-6-2-7-16(28)19(15)18(14(11-25)20(27)26)17-8-3-9-29-17/h1,3-5,8-10,18H,2,6-7,26H2
InChIKey BYLJRSSQAMQTCB-UHFFFAOYSA-N
Mol Weight 415.43 g/mol
Molecular Formula C21H16F3N3OS
Exact Mass 415.096618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFmNK4HDUup
Name 2-Amino-5-keto-4-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Alternate Name(s) 2-Amino-5-oxo-4-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile 2-Amino-5-oxo-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile 2-Azanyl-5-oxidanylidene-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
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Formula C21H16F3N3OS
InChI InChI=1S/C21H16F3N3OS/c22-21(23,24)12-4-1-5-13(10-12)27-15-6-2-7-16(28)19(15)18(14(11-25)20(27)26)17-8-3-9-29-17/h1,3-5,8-10,18H,2,6-7,26H2
InChIKey BYLJRSSQAMQTCB-UHFFFAOYSA-N
Molecular Weight 415.434 g/mol
SMILES NC1=C(C(C2=C(CCCC2=O)N1c1cc(C(F)(F)F)ccc1)c1sccc1)C#N
SPLASH splash10-00lr-1649400000-eb4bad5332fc19144945
Wiley ID 1459828