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UC7

Summary
Name:2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Formula:C20 H24 N2 O2
Formal charge:0
Formula weight:324.417 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione
OpenEye OEToolkits2.0.72-butyl-6-(butylamino)benzo[de]isoquinoline-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1c2ccc(NCCCC)c3cccc(C(=O)N1CCCC)c32
InChIInChI1.06InChI=1S/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3
InChIKeyInChI1.06DXWHZJXKTHGHQF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23
SMILESCACTVS3.385CCCCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC
SMILESOpenEye OEToolkits2.0.7CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC

224931

PDB entries from 2024-09-11

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