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3H-1,4-Benzodiazepine, 3-(4-methyl-1-piperazinyl)-7-nitro-5-phenyl-
SpectraBase Compound ID 1L7GYjIMKGI
InChI InChI=1S/C20H21N5O2/c1-23-9-11-24(12-10-23)19-14-21-18-8-7-16(25(26)27)13-17(18)20(22-19)15-5-3-2-4-6-15/h2-8,13-14,19H,9-12H2,1H3
InChIKey UDJAVKNFVOEASI-UHFFFAOYSA-N
Mol Weight 363.42 g/mol
Molecular Formula C20H21N5O2
Exact Mass 363.169525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DftIj7s4D3b
Name 3H-1,4-Benzodiazepine, 3-(4-methyl-1-piperazinyl)-7-nitro-5-phenyl-
CAS Registry Number 84505-17-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N5O2
InChI InChI=1S/C20H21N5O2/c1-23-9-11-24(12-10-23)19-14-21-18-8-7-16(25(26)27)13-17(18)20(22-19)15-5-3-2-4-6-15/h2-8,13-14,19H,9-12H2,1H3
InChIKey UDJAVKNFVOEASI-UHFFFAOYSA-N
Molecular Weight 363.421 g/mol
SMILES C1(=NC(C=Nc2ccc(cc12)N(=O)=O)N1CCN(CC1)C)c1ccccc1
SPLASH splash10-08ml-9310000000-808c397f89bb003a82bd
Source of Spectrum KO-11-412-16
Synonyms 3-(4-Methyl-1-piperazinyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepine 7-Nitro-3-(1,4-diaza-4-methylcyclohexyl)-5-phenyl-1,4-benzodiazepine
Wiley ID 1350247