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4-(4-CHLOROPHENYL)-2,3,6,7-TETRAHYDRO-8-METHOXY-7-METHYL-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID B6AbWOJoMpk
InChI InChI=1S/C21H19ClN4O2/c1-26-20(27)18-19(25-21(26)28-2)24-17(13-6-4-3-5-7-13)12-16(23-18)14-8-10-15(22)11-9-14/h3-11,17,24H,12H2,1-2H3
InChIKey BFPBEFKVWGYBGU-UHFFFAOYSA-N
Mol Weight 394.86 g/mol
Molecular Formula C21H19ClN4O2
Exact Mass 394.119654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYfhjTfV929
Name 2,3,6,7-Tetrahydro-8-methoxy-7-methyl-4-(4'-chlorophenyl)-2-phenyl-1H-pyrimodo[4,5-b]-[1,4]-diazepin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19ClN4O2
InChI InChI=1S/C21H19ClN4O2/c1-26-20(27)18-19(25-21(26)28-2)24-17(13-6-4-3-5-7-13)12-16(23-18)14-8-10-15(22)11-9-14/h3-11,17,24H,12H2,1-2H3
InChIKey BFPBEFKVWGYBGU-UHFFFAOYSA-N
Molecular Weight 394.862 g/mol
SMILES N1C(CC(=NC2=C1N=C(N(C2=O)C)OC)c1ccc(Cl)cc1)c1ccccc1
SPLASH splash10-0007-0009000000-a3d45c920d0a8b93cbdb
Source of Spectrum Y-31-64-3
Wiley ID 761445