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N-tert-butyl-2-[(3R,5R)-3-[(4-chlorophenyl)carbamoylamino]-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
SpectraBase Compound ID FIdlmBvK7vm
InChI InChI=1S/C29H31ClN4O3/c1-29(2,3)33-26(35)18-34-25-12-8-7-11-22(25)23(19-9-5-4-6-10-19)17-24(27(34)36)32-28(37)31-21-15-13-20(30)14-16-21/h4-16,23-24H,17-18H2,1-3H3,(H,33,35)(H2,31,32,37)/t23-,24-/m1/s1
InChIKey FAQSZDGODZYSIN-DNQXCXABSA-N
Mol Weight 519.05 g/mol
Molecular Formula C29H31ClN4O3
Exact Mass 518.208469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGRzsuV2b7M
Name N-tert-butyl-2-[(3R,5R)-3-[(4-chlorophenyl)carbamoylamino]-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
Alternate Name(s) N-tert-butyl-2-[(3R,5R)-3-[(4-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanamide N-tert-butyl-2-[(3R,5R)-3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide N-tert-butyl-2-[(3R,5R)-3-[[(4-chloroanilino)-oxomethyl]amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
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Formula C29H31ClN4O3
InChI InChI=1S/C29H31ClN4O3/c1-29(2,3)33-26(35)18-34-25-12-8-7-11-22(25)23(19-9-5-4-6-10-19)17-24(27(34)36)32-28(37)31-21-15-13-20(30)14-16-21/h4-16,23-24H,17-18H2,1-3H3,(H,33,35)(H2,31,32,37)/t23-,24-/m1/s1
InChIKey FAQSZDGODZYSIN-DNQXCXABSA-N
Molecular Weight 519.045 g/mol
SMILES N(C(Nc1ccc(cc1)Cl)=O)[C@]1(C(N(CC(NC(C)(C)C)=O)c2c([C@](C1)(c1ccccc1)[H])cccc2)=O)[H]
SPLASH splash10-0w29-0963000000-f3276a59baa500b5b9dc
Source of Spectrum E1-37-3796-9
Wiley ID 1575383