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4-(4-CHLOROPHENYL)-2,3,6,7-TETRAHYDRO-8-METHOXY-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID LaEbWnhudrl
InChI InChI=1S/C20H17ClN4O2/c1-27-20-24-18-17(19(26)25-20)22-15(13-7-9-14(21)10-8-13)11-16(23-18)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H2,23,24,25,26)
InChIKey BZKCCJAWOVQKQV-UHFFFAOYSA-N
Mol Weight 380.84 g/mol
Molecular Formula C20H17ClN4O2
Exact Mass 380.104004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3bJ0ZXg3sC
Name 2,3,6,7-Tetrahydro-8-methoxy-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 C20H17ClN4O2
InChI InChI=1S/C20H17ClN4O2/c1-27-20-24-18-17(19(26)25-20)22-15(13-7-9-14(21)10-8-13)11-16(23-18)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H2,23,24,25,26)
InChIKey BZKCCJAWOVQKQV-UHFFFAOYSA-N
Molecular Weight 380.835 g/mol
SMILES N1C(=NC2=C(N=C(CC(N2)c2ccccc2)c2ccc(Cl)cc2)C1=O)OC
SPLASH splash10-00lu-0349000000-7174dc304d694dd4c282
Source of Spectrum Y-31-63-3
Wiley ID 761453