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(S)-9-Chloro-5-(4-phenylthiazol-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinolin-5-carbonitrile
SpectraBase Compound ID LlYNMIgX668
InChI InChI=1S/C23H20ClN3S/c24-18-10-9-17-13-23(15-25,21-8-4-5-11-27(21)20(17)12-18)22-26-19(14-28-22)16-6-2-1-3-7-16/h1-3,6-7,9-10,12,14,21H,4-5,8,11,13H2/t21-,23?/m0/s1
InChIKey WDJVDAZDSSWUHU-BBQAJUCSSA-N
Mol Weight 405.95 g/mol
Molecular Formula C23H20ClN3S
Exact Mass 405.106647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVjkZs5voQ3
Name (S)-9-Chloro-5-(4-phenylthiazol-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinolin-5-carbonitrile
Alternate Name(s) 9-Chloro-5-(4-phenylthiazol-2-yl)-2,3,4,4a,5,6-hexahydro-1''-pyrido[1,2-a]quinolin-5-carbonitrile (4aS)-9-chloro-5-(4-phenylthiazol-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20ClN3S
InChI InChI=1S/C23H20ClN3S/c24-18-10-9-17-13-23(15-25,21-8-4-5-11-27(21)20(17)12-18)22-26-19(14-28-22)16-6-2-1-3-7-16/h1-3,6-7,9-10,12,14,21H,4-5,8,11,13H2/t21-,23?/m0/s1
InChIKey WDJVDAZDSSWUHU-BBQAJUCSSA-N
Molecular Weight 405.947 g/mol
SMILES C1(c2nc(-c3ccccc3)cs2)([C@]2(N(CCCC2)c2c(C1)ccc(c2)Cl)[H])C#N
SPLASH splash10-03di-0900100000-d83356ce7258084fb68b
Source of Spectrum HC-50-1453-2c
Wiley ID 1739894