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7-{[3-Chloro-2-(4-dimethylamino-phenyl)-4-oxo-azetidin-1-ylamino]-methyl}-4H-[1,4]oxazepin-5-one
SpectraBase Compound ID H2ZlMORsEkm
InChI InChI=1S/C21H21ClN4O3/c1-25(2)14-9-7-13(8-10-14)20-19(22)21(28)26(20)23-12-15-11-18(27)24-16-5-3-4-6-17(16)29-15/h3-11,19-20,23H,12H2,1-2H3,(H,24,27)
InChIKey SAEZBRUMDGCSGC-UHFFFAOYSA-N
Mol Weight 412.88 g/mol
Molecular Formula C21H21ClN4O3
Exact Mass 412.130218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCalDSIGnD6
Name 7-{[3-Chloro-2-(4-dimethylamino-phenyl)-4-oxo-azetidin-1-ylamino]-methyl}-4H-[1,4]oxazepin-5-one
Alternate Name(s) 2-[({3-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1-azetidinyl}amino)methyl]-1,5-benzoxazepin-4(5H)-one 2-[4'-Oxo-3'-chloro-2'-(4-N,N-Dimethylamino)phenylazetidinyl]iminomethyl-1,5-oxazepin-4(5H)-one 2-[[[3-chloranyl-2-(4-dimethylaminophenyl)-4-oxidanylidene-azetidin-1-yl]amino]methyl]-5H-1,5-benzoxazepin-4-one 2-[[[3-chloro-2-(4-dimethylaminophenyl)-4-keto-azetidin-1-yl]amino]methyl]-5H-1,5-benzoxazepin-4-one 2-[[[3-chloro-2-(4-dimethylaminophenyl)-4-oxo-1-azetidinyl]amino]methyl]-5H-1,5-benzoxazepin-4-one 2-[[[3-chloro-2-(4-dimethylaminophenyl)-4-oxo-azetidin-1-yl]amino]methyl]-5H-1,5-benzoxazepin-4-one 2-[[[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1-azetidinyl]amino]methyl]-5H-1,5-benzoxazepin-4-one 2-[[[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]amino]methyl]-5H-1,5-benzoxazepin-4-one 2-[[[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-azetidin-1-yl]amino]methyl]-5H-1,5-benzoxazepin-4-one 2-[[[3-chloranyl-2-[4-(dimethylamino)phenyl]-4-oxidanylidene-azetidin-1-yl]amino]methyl]-5H-1,5-benzoxazepin-4-one
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Formula C21H21ClN4O3
InChI InChI=1S/C21H21ClN4O3/c1-25(2)14-9-7-13(8-10-14)20-19(22)21(28)26(20)23-12-15-11-18(27)24-16-5-3-4-6-17(16)29-15/h3-11,19-20,23H,12H2,1-2H3,(H,24,27)
InChIKey SAEZBRUMDGCSGC-UHFFFAOYSA-N
Molecular Weight 412.877 g/mol
SMILES N(N1C(=O)C(C1c1ccc(cc1)N(C)C)Cl)CC1=CC(Nc2c(O1)cccc2)=O
SPLASH splash10-000i-1921000000-b0f07b728d63f757afc3
Source of Spectrum Y1-42-1155-6
Wiley ID 1565212