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5-Benzoyl-9-(4-methoxyphenyl)-6-(3-pyridinyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
SpectraBase Compound ID JxwkiGfQxL1
InChI InChI=1S/C32H27N3O3/c1-38-25-15-13-21(14-16-25)24-18-27-30(29(36)19-24)31(23-10-7-17-33-20-23)35(28-12-6-5-11-26(28)34-27)32(37)22-8-3-2-4-9-22/h2-17,20,24,31,34H,18-19H2,1H3
InChIKey DYGSCRGUUAAMON-UHFFFAOYSA-N
Mol Weight 501.6 g/mol
Molecular Formula C32H27N3O3
Exact Mass 501.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pYx7Lnm39b
Name 5-Benzoyl-9-(4-methoxyphenyl)-6-(3-pyridinyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Alternate Name(s) 5-Benzoyl-9-(4-methoxyphenyl)-6-(3-pyridyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one 5-Benzoyl-9-(4-methoxyphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one 9-(4-Methoxyphenyl)-5-(phenylcarbonyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
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Formula C32H27N3O3
InChI InChI=1S/C32H27N3O3/c1-38-25-15-13-21(14-16-25)24-18-27-30(29(36)19-24)31(23-10-7-17-33-20-23)35(28-12-6-5-11-26(28)34-27)32(37)22-8-3-2-4-9-22/h2-17,20,24,31,34H,18-19H2,1H3
InChIKey DYGSCRGUUAAMON-UHFFFAOYSA-N
Molecular Weight 501.586 g/mol
SMILES N1C2=C(C(N(c3c1cccc3)C(=O)c1ccccc1)c1cnccc1)C(CC(C2)c1ccc(cc1)OC)=O
SPLASH splash10-0560-7948200000-1de361a809a55961a6b0
Wiley ID 1460342