Methyl 5-benzyl-4-oxo-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indole-5-carboxylate

SpectraBase Compound ID	61sfUOWhXYI
InChI	InChI=1S/C21H20N2O3/c1-26-20(25)21(13-14-7-3-2-4-8-14)18-16(11-12-22-19(21)24)15-9-5-6-10-17(15)23-18/h2-10,23H,11-13H2,1H3,(H,22,24)
InChIKey	QCABYRCLEUTNFQ-UHFFFAOYSA-N Google Search
Mol Weight	348.4 g/mol
Molecular Formula	C21H20N2O3
Exact Mass	348.147393 g/mol

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SpectraBase Spectrum ID	L38DULRodXn
Name	Methyl 5-benzyl-4-oxo-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indole-5-carboxylate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H20N2O3
InChI	InChI=1S/C21H20N2O3/c1-26-20(25)21(13-14-7-3-2-4-8-14)18-16(11-12-22-19(21)24)15-9-5-6-10-17(15)23-18/h2-10,23H,11-13H2,1H3,(H,22,24)
InChIKey	QCABYRCLEUTNFQ-UHFFFAOYSA-N
Molecular Weight	348.402 g/mol
SMILES	N1CCc2c(C(C1=O)(C(=O)OC)Cc1ccccc1)[nH]c1ccccc21
SPLASH	splash10-0a4j-0095000000-fe51fa7a3eae31f50414
Source of Spectrum	F5-7-1394-29
Synonyms	4-oxo-5-(phenylmethyl)-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid methyl ester methyl 5-benzyl-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate methyl 4-oxidanylidene-5-(phenylmethyl)-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
Wiley ID	1696411