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2-{(S)-1-[2-Chloro-4-((R)-2-hydroxy-pyrrolidin-1-yl)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl}-N-isopropyl-acetamide

View entire compound with spectra: 1 MS (GC)

2-{(S)-1-[2-Chloro-4-((R)-2-hydroxy-pyrrolidin-1-yl)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl}-N-isopropyl-acetamide
SpectraBase Compound ID EcJPrcZjmvL
InChI InChI=1S/C26H32ClN3O3/c1-17(2)28-24(31)15-18-7-5-14-30(23-9-4-3-8-20(18)23)26(33)21-12-11-19(16-22(21)27)29-13-6-10-25(29)32/h3-4,8-9,11-12,16-18,25,32H,5-7,10,13-15H2,1-2H3,(H,28,31)/t18-,25+/m0/s1
InChIKey CTFILEBSSVWRCG-AVRWGWEMSA-N
Mol Weight 470.0 g/mol
Molecular Formula C26H32ClN3O3
Exact Mass 469.21322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHLS5HBLVOr
Name 2-{(S)-1-[2-Chloro-4-((R)-2-hydroxy-pyrrolidin-1-yl)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl}-N-isopropyl-acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32ClN3O3
InChI InChI=1S/C26H32ClN3O3/c1-17(2)28-24(31)15-18-7-5-14-30(23-9-4-3-8-20(18)23)26(33)21-12-11-19(16-22(21)27)29-13-6-10-25(29)32/h3-4,8-9,11-12,16-18,25,32H,5-7,10,13-15H2,1-2H3,(H,28,31)/t18-,25+/m0/s1
InChIKey CTFILEBSSVWRCG-AVRWGWEMSA-N
Molecular Weight 470.013 g/mol
SMILES O[C@]1(N(c2cc(c(C(N3c4c([C@](CC(NC(C)C)=O)(CCC3)[H])cccc4)=O)cc2)Cl)CCC1)[H]
SPLASH splash10-0pb9-0090600000-a8ff7f5d4d8b2384f4d9
Source of Spectrum O1-61-554-2
Synonyms (R)-2-[1-(2-Chloro-4-(2-hydroxy-1-pyrrolidinyl)benzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl]-N-isopropylacetamide 2-((5S)-1-{2-chloro-4-[(2R)-2-hydroxypyrrolidinyl]benzoyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)-N-isopropylacetamide
Wiley ID 1592340