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Amb9957

Duplicate ID
Molecule Name 10,11-dimethoxy-6-(4-nitrophenyl)-7,7a-dihydro-12H-isoindolo[2,1-a][1,5]benzodiazepin-12-one
SmilesCOc1ccc2c(c1OC)C(=O)N1C2CC(=Nc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]
InchiKeyXBWHNBXUPIHMRH-UHFFFAOYSA-N
InChi InChI=1S/C24H19N3O5/c1-31-21-12-11-16-20-13-18(14-7-9-15(10-8-14)27(29)30)25-17-5-3-4-6-19(17)26(20)24(28)22(16)23(21)32-2/h3-12,20H,13H2,1-2H3
Formula C24H19N3O5
Molecular weight 429.425
Rings 5
logP 4.8618
PSA 96.95
MR 128.058
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