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tert-Butyl 2-(3-(3-(3-Tolyl)ureido)-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)ethanoate
SpectraBase Compound ID L9A0H6QAYe0
InChI InChI=1S/C30H33N3O4/c1-20-11-10-14-22(17-20)31-29(36)32-25-18-24(21-12-6-5-7-13-21)23-15-8-9-16-26(23)33(28(25)35)19-27(34)37-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H2,31,32,36)
InChIKey CLMCTKVZMVJCQP-UHFFFAOYSA-N
Mol Weight 499.6 g/mol
Molecular Formula C30H33N3O4
Exact Mass 499.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWfIKv2oP0u
Name tert-Butyl 2-(3-(3-(3-Tolyl)ureido)-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H33N3O4
InChI InChI=1S/C30H33N3O4/c1-20-11-10-14-22(17-20)31-29(36)32-25-18-24(21-12-6-5-7-13-21)23-15-8-9-16-26(23)33(28(25)35)19-27(34)37-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H2,31,32,36)
InChIKey CLMCTKVZMVJCQP-UHFFFAOYSA-N
Molecular Weight 499.611 g/mol
SMILES N(C1C(N(CC(=O)OC(C)(C)C)c2c(C(C1)c1ccccc1)cccc2)=O)C(=O)Nc1cc(ccc1)C
SPLASH splash10-03dl-0239110000-38b1cde273144e7bfe5f
Source of Spectrum E1-37-3795-9
Synonyms tert-Butyl {2-oxo-5-phenyl-3-[(3-toluidinocarbonyl)amino]-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}acetate 2-[3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester tert-Butyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate tert-Butyl 2-[3-(m-tolylcarbamoylamino)-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate tert-Butyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate
Wiley ID 1575386