ethyl 6-amino-5,5,7-tricyano-8-(4-pyridinyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

SpectraBase Compound ID	2X0PN7mBUDN
InChI	InChI=1S/C20H18N6O2/c1-2-28-19(27)26-8-5-16-15(10-26)17(13-3-6-25-7-4-13)14(9-21)18(24)20(16,11-22)12-23/h3-7,15,17H,2,8,10,24H2,1H3
InChIKey	IKPJXQGZGOLDGX-UHFFFAOYSA-N Google Search
Mol Weight	374.4 g/mol
Molecular Formula	C20H18N6O2
Exact Mass	374.149124 g/mol

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SpectraBase Spectrum ID	LPEGEMlaPv5
Name	Isoquinoline-2-carboxylic acid, 1,2,3,5,8,8a-hexahydro-6-amino-5,5,7-tricyano-8-(4-pyridyl)-, ethyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H18N6O2
InChI	InChI=1S/C20H18N6O2/c1-2-28-19(27)26-8-5-16-15(10-26)17(13-3-6-25-7-4-13)14(9-21)18(24)20(16,11-22)12-23/h3-7,15,17H,2,8,10,24H2,1H3
InChIKey	IKPJXQGZGOLDGX-UHFFFAOYSA-N
Molecular Weight	374.404 g/mol
SMILES	NC1=C(C(C2C(C1(C#N)C#N)=CCN(C2)C(OCC)=O)c1ccncc1)C#N
SPLASH	splash10-0002-1239000000-13f1e2a4fbbbc3505b1b
Source of Spectrum	AD-0-2532-0
Synonyms	6-Amino-5,5,7-tricyano-8-(4-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester 6-Amino-5,5,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Ethyl 6-amino-5,5,7-tricyano-8-(4-pyridinyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate Ethyl 6-amino-5,5,7-tricyano-8-(4-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Ethyl 6-amino-5,5,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Ethyl 6-azanyl-5,5,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Wiley ID	1426687