(6aS)-2,5-dimethoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

SpectraBase Compound ID	I2iFrAlNEc0
InChI	InChI=1S/C21H22N2O5/c1-26-18-11-15-17(12-19(18)28-13-14-7-4-3-5-8-14)23(27-2)21(25)16-9-6-10-22(16)20(15)24/h3-5,7-8,11-12,16H,6,9-10,13H2,1-2H3/t16-/m0/s1
InChIKey	QIJZZINLUOCFTG-INIZCTEOSA-N Google Search
Mol Weight	382.42 g/mol
Molecular Formula	C21H22N2O5
Exact Mass	382.152872 g/mol

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SpectraBase Spectrum ID	8OOXehd6lBj
Name	(6aS)-2,5-dimethoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H22N2O5
InChI	InChI=1S/C21H22N2O5/c1-26-18-11-15-17(12-19(18)28-13-14-7-4-3-5-8-14)23(27-2)21(25)16-9-6-10-22(16)20(15)24/h3-5,7-8,11-12,16H,6,9-10,13H2,1-2H3/t16-/m0/s1
InChIKey	QIJZZINLUOCFTG-INIZCTEOSA-N
Molecular Weight	382.416 g/mol
SMILES	C1(N(c2c(C(N3[C@]1(CCC3)[H])=O)cc(c(c2)OCc1ccccc1)OC)OC)=O
SPLASH	splash10-0006-9000000000-e40239aa0e103d6448ad
Source of Spectrum	F-70-2262-10
Synonyms	(6aS)-3-benzoxy-2,5-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-quinone (6aS)-3-benzyloxy-2,5-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Wiley ID	1596503