trans-2-Methyl-1-(4-nitrophenyl)-2-phenyl-1,2,8,9-tetrahydroazeto[2,1-b][1,3]benzodiazepine

SpectraBase Compound ID	8mz3GfbAZKL
InChI	InChI=1S/C24H21N3O2/c1-24(19-8-3-2-4-9-19)22(18-11-13-20(14-12-18)27(28)29)26-16-15-17-7-5-6-10-21(17)25-23(24)26/h2-14,22H,15-16H2,1H3/t22-,24-/m0/s1
InChIKey	UBOAFSSMMMRQSI-UPVQGACJSA-N Google Search
Mol Weight	383.45 g/mol
Molecular Formula	C24H21N3O2
Exact Mass	383.163377 g/mol

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SpectraBase Spectrum ID	2THsl1Q1omg
Name	trans-2-Methyl-1-(4-nitrophenyl)-2-phenyl-1,2,8,9-tetrahydroazeto[2,1-b][1,3]benzodiazepine
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H21N3O2
InChI	InChI=1S/C24H21N3O2/c1-24(19-8-3-2-4-9-19)22(18-11-13-20(14-12-18)27(28)29)26-16-15-17-7-5-6-10-21(17)25-23(24)26/h2-14,22H,15-16H2,1H3/t22-,24-/m0/s1
InChIKey	UBOAFSSMMMRQSI-UPVQGACJSA-N
Molecular Weight	383.451 g/mol
SMILES	C1=2[C@](c3ccccc3)(C)[C@@](N1CCc1c(N2)cccc1)(c1ccc(N(=O)=O)cc1)[H]
SPLASH	splash10-001i-0309000000-214094cef1037d4b8d40
Source of Spectrum	QE-5-1115-10
Synonyms	(1S,2S)-2-Methyl-1-(4-nitro-phenyl)-2-phenyl-1,2,8,9-tetrahydro-3,9a-diaza-benzo[a]cyclobuta[d]cycloheptene (1S,2S)-2-methyl-1-(4-nitrophenyl)-2-phenyl-1,2,8,9-tetrahydroazeto[2,1-b][1,3]benzodiazepine
Wiley ID	844086