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BBO

Summary
Name:2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Formula:C19 H20 N2 O3
Formal charge:0
Formula weight:324.374 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
OpenEye OEToolkits2.0.62-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c3c4c(cc1)cccc4C(=O)N(CCCN2CCOCC2)C3=O
InChIInChI1.03InChI=1S/C19H20N2O3/c22-18-15-6-1-4-14-5-2-7-16(17(14)15)19(23)21(18)9-3-8-20-10-12-24-13-11-20/h1-2,4-7H,3,8-13H2
InChIKeyInChI1.03GQPIEFFYGONFTJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1N(CCCN2CCOCC2)C(=O)c3cccc4cccc1c34
SMILESCACTVS3.385O=C1N(CCCN2CCOCC2)C(=O)c3cccc4cccc1c34
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4
SMILESOpenEye OEToolkits2.0.6c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4

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數據於2024-07-10公開中

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