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3-(3,4-Dimethoxyphenyl)-11-(2-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID Fy9zMCWsCJA
InChI InChI=1S/C27H25N3O5/c1-34-24-12-11-16(15-25(24)35-2)17-13-21-26(23(31)14-17)27(18-7-3-6-10-22(18)30(32)33)29-20-9-5-4-8-19(20)28-21/h3-12,15,17,27-29H,13-14H2,1-2H3
InChIKey ADWOICVCYRZZCG-UHFFFAOYSA-N
Mol Weight 471.51 g/mol
Molecular Formula C27H25N3O5
Exact Mass 471.179421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1DzBW4yx1s
Name 3-(3,4-Dimethoxyphenyl)-11-(2-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N3O5
InChI InChI=1S/C27H25N3O5/c1-34-24-12-11-16(15-25(24)35-2)17-13-21-26(23(31)14-17)27(18-7-3-6-10-22(18)30(32)33)29-20-9-5-4-8-19(20)28-21/h3-12,15,17,27-29H,13-14H2,1-2H3
InChIKey ADWOICVCYRZZCG-UHFFFAOYSA-N
Molecular Weight 471.513 g/mol
SMILES N1c2ccccc2NC2=C(C1c1c(N(=O)=O)cccc1)C(CC(c1cc(OC)c(cc1)OC)C2)=O
SPLASH splash10-000y-2960000000-6165f8944a2f0b0d33bb
Synonyms 9-(3,4-dimethoxyphenyl)-6-(2-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1454815