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N-tert-Butyl-2-[3-(3-(3-chlorophenyl)ureido)-2-oxo-5-phenyl-8-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]ethanoic acid amide

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N-tert-Butyl-2-[3-(3-(3-chlorophenyl)ureido)-2-oxo-5-phenyl-8-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]ethanoic acid amide
SpectraBase Compound ID B77EX3oUOs8
InChI InChI=1S/C29H30Cl2N4O3/c1-29(2,3)34-26(36)17-35-25-15-20(31)12-13-22(25)23(18-8-5-4-6-9-18)16-24(27(35)37)33-28(38)32-21-11-7-10-19(30)14-21/h4-15,23-24H,16-17H2,1-3H3,(H,34,36)(H2,32,33,38)
InChIKey PIYVAPZSWIDNTQ-UHFFFAOYSA-N
Mol Weight 553.49 g/mol
Molecular Formula C29H30Cl2N4O3
Exact Mass 552.169496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBUKueMg6Qv
Name N-tert-Butyl-2-[3-(3-(3-chlorophenyl)ureido)-2-oxo-5-phenyl-8-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]ethanoic acid amide
Alternate Name(s) N-(tert-butyl)-2-(8-chloro-3-{[(3-chloroanilino)carbonyl]amino}-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30Cl2N4O3
InChI InChI=1S/C29H30Cl2N4O3/c1-29(2,3)34-26(36)17-35-25-15-20(31)12-13-22(25)23(18-8-5-4-6-9-18)16-24(27(35)37)33-28(38)32-21-11-7-10-19(30)14-21/h4-15,23-24H,16-17H2,1-3H3,(H,34,36)(H2,32,33,38)
InChIKey PIYVAPZSWIDNTQ-UHFFFAOYSA-N
Molecular Weight 553.490 g/mol
SMILES N(C1C(N(CC(=O)NC(C)(C)C)c2c(C(C1)c1ccccc1)ccc(c2)Cl)=O)C(=O)Nc1cc(ccc1)Cl
SPLASH splash10-0pb9-2932000000-b1afc156275caffd9f7d
Source of Spectrum E1-37-3805-43
Wiley ID 1575422