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N-[(2R,4aS,6S,8aR)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzamide
SpectraBase Compound ID 23unCtlrPan
InChI InChI=1S/C26H34N4O/c31-26(20-6-2-1-3-7-20)28-23-11-9-22-19-24(12-10-21(22)18-23)29-14-16-30(17-15-29)25-8-4-5-13-27-25/h1-8,13,21-24H,9-12,14-19H2,(H,28,31)/t21-,22+,23-,24+/m1/s1
InChIKey OVQXIVRARLGKOO-QPXUXIHVSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H34N4O
Exact Mass 418.273262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ei2hxKpR6vo
Name N-[(2R,4aS,6S,8aR)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34N4O
InChI InChI=1S/C26H34N4O/c31-26(20-6-2-1-3-7-20)28-23-11-9-22-19-24(12-10-21(22)18-23)29-14-16-30(17-15-29)25-8-4-5-13-27-25/h1-8,13,21-24H,9-12,14-19H2,(H,28,31)/t21-,22+,23-,24+/m1/s1
InChIKey OVQXIVRARLGKOO-QPXUXIHVSA-N
Molecular Weight 418.585 g/mol
SMILES N(C(=O)c1ccccc1)[C@]1(C[C@]2(CC[C@](N3CCN(c4ncccc4)CC3)(C[C@@]2(CC1)[H])[H])[H])[H]
SPLASH splash10-0a4i-0900000000-7ddab58f983a1d8e4f56
Source of Spectrum E1-37-4256-12
Synonyms N-[(2R,4aS,6S,8aR)-6-[4-(2-pyridinyl)-1-piperazinyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzamide N-[(2R,4aS,6S,8aR)-6-[4-(2-pyridyl)piperazin-1-yl]decalin-2-yl]benzamide N-[(2R,4aS,6S,8aR)-6-[4-(2-pyridyl)piperazino]decalin-2-yl]benzamide
Wiley ID 1575451