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1H-1,4-Benzodiazepine, 2,3-dihydro-1-methyl-7-nitro-5-phenyl-2,3-bis(1-piperidinyl)-
SpectraBase Compound ID KfF3P9FFV1a
InChI InChI=1S/C26H33N5O2/c1-28-23-14-13-21(31(32)33)19-22(23)24(20-11-5-2-6-12-20)27-25(29-15-7-3-8-16-29)26(28)30-17-9-4-10-18-30/h2,5-6,11-14,19,25-26H,3-4,7-10,15-18H2,1H3
InChIKey WXNUSECYSWZHSV-UHFFFAOYSA-N
Mol Weight 447.6 g/mol
Molecular Formula C26H33N5O2
Exact Mass 447.263425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ePPqI7bZg6
Name 1H-1,4-Benzodiazepine, 2,3-dihydro-1-methyl-7-nitro-5-phenyl-2,3-bis(1-piperidinyl)-
CAS Registry Number 84505-12-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33N5O2
InChI InChI=1S/C26H33N5O2/c1-28-23-14-13-21(31(32)33)19-22(23)24(20-11-5-2-6-12-20)27-25(29-15-7-3-8-16-29)26(28)30-17-9-4-10-18-30/h2,5-6,11-14,19,25-26H,3-4,7-10,15-18H2,1H3
InChIKey WXNUSECYSWZHSV-UHFFFAOYSA-N
Molecular Weight 447.583 g/mol
SMILES C1(N=C(c2cc(N(=O)=O)ccc2N(C1N1CCCCC1)C)c1ccccc1)N1CCCCC1
SPLASH splash10-001i-9010000000-9babb0714f7de73f1774
Source of Spectrum KO-11-409-1
Synonyms 1-Methyl-7-nitro-5-phenyl-2,3-di(1-aza-cyclohexyl)-1,4-benzodiazepine 1-Methyl-7-nitro-5-phenyl-2,3-di(1-piperidinyl)-2,3-dihydro-1H-1,4-benzodiazepine
Wiley ID 1386948