[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

SpectraBase Compound ID	3XnnoS1gB6h
InChI	InChI=1S/C21H29N5O3/c27-20(24-5-4-23-3-1-2-17(23)12-24)19-18(26(28)29)13-25(22-19)21-9-14-6-15(10-21)8-16(7-14)11-21/h13-17H,1-12H2/t14-,15+,16-,17?,21-
InChIKey	LMNQGTIZZKCHRA-LWYJVMDTSA-N Google Search
Mol Weight	399.5 g/mol
Molecular Formula	C21H29N5O3
Exact Mass	399.22704 g/mol

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SpectraBase Spectrum ID	LfZC3DcaGxR
Name	[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H29N5O3
InChI	InChI=1S/C21H29N5O3/c27-20(24-5-4-23-3-1-2-17(23)12-24)19-18(26(28)29)13-25(22-19)21-9-14-6-15(10-21)8-16(7-14)11-21/h13-17H,1-12H2/t14-,15+,16-,17?,21-
InChIKey	LMNQGTIZZKCHRA-LWYJVMDTSA-N
Molecular Weight	399.495 g/mol
SMILES	C1[C@]2(C[C@]3(C[C@@]1(CC(C3)(C2)[n]1nc(c(c1)N(=O)=O)C(=O)N1CC2N(CC1)CCC2)[H])[H])[H]
SPLASH	splash10-000i-6913000000-c9904de616cfa43d5506
Synonyms	[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
Wiley ID	1442423