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3H-1,4-Benzodiazepine, 7-chloro-3-(4-methyl-1-piperazinyl)-5-phenyl-
SpectraBase Compound ID 9DUlm4UlpP1
InChI InChI=1S/C20H21ClN4/c1-24-9-11-25(12-10-24)19-14-22-18-8-7-16(21)13-17(18)20(23-19)15-5-3-2-4-6-15/h2-8,13-14,19H,9-12H2,1H3
InChIKey PZHLGVRFFUKFJM-UHFFFAOYSA-N
Mol Weight 352.87 g/mol
Molecular Formula C20H21ClN4
Exact Mass 352.145474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5liaFD8kjLF
Name 3H-1,4-Benzodiazepine, 7-chloro-3-(4-methyl-1-piperazinyl)-5-phenyl-
CAS Registry Number 84505-16-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21ClN4
InChI InChI=1S/C20H21ClN4/c1-24-9-11-25(12-10-24)19-14-22-18-8-7-16(21)13-17(18)20(23-19)15-5-3-2-4-6-15/h2-8,13-14,19H,9-12H2,1H3
InChIKey PZHLGVRFFUKFJM-UHFFFAOYSA-N
Molecular Weight 352.869 g/mol
SMILES C1(=NC(C=Nc2c1cc(cc2)Cl)N1CCN(CC1)C)c1ccccc1
SPLASH splash10-03kc-9421000000-ceca0c738dbfc8bd0e3f
Source of Spectrum KO-11-412-17
Synonyms 7-Chloro-3-(1,4-diaza-4-methylcyclohexyl)-5-phenyl-1,4-benzodiazepine 7-Chloro-3-(4-methyl-1-piperazinyl)-5-phenyl-3H-1,4-benzodiazepine
Wiley ID 1343294