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VGI

Summary
Name:2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione
Formula:C20 H15 Br N2 O3
Formal charge:0
Formula weight:411.249 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1H-benzo[de]isoquinoline-1,3(2H)-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc1cccc(c1)N4C(=O)c3cccc2c(ccc(c23)C4=O)NCCO
SMILES_CANONICALCACTVS3.352OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c4cccc(Br)c4
SMILESCACTVS3.352OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c4cccc(Br)c4
SMILES_CANONICALOpenEye OEToolkits1.6.1c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(ccc4NCCO)C2=O
SMILESOpenEye OEToolkits1.6.1c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(ccc4NCCO)C2=O
InChIInChI1.03InChI=1S/C20H15BrN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2
InChIKeyInChI1.03JZCUVYNOSDWORZ-UHFFFAOYSA-N

222415

數據於2024-07-10公開中

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