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A1B9D

Summary
Name:3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide
Formula:C19 H15 Br N2 O
Formal charge:0
Formula weight:367.239 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide
OpenEye OEToolkits3.1.0.03-bromanyl-~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)naphthalene-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Brc1cc2ccccc2c(c1)C(=O)Nc1ccc2CNCc2c1
InChIInChI1.06InChI=1S/C19H15BrN2O/c20-15-7-12-3-1-2-4-17(12)18(9-15)19(23)22-16-6-5-13-10-21-11-14(13)8-16/h1-9,21H,10-11H2,(H,22,23)
InChIKeyInChI1.06XJBLHUNGQLAOGU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Brc1cc2ccccc2c(c1)C(=O)Nc3ccc4CNCc4c3
SMILESCACTVS3.385Brc1cc2ccccc2c(c1)C(=O)Nc3ccc4CNCc4c3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc2c(c1)cc(cc2C(=O)Nc3ccc4c(c3)CNC4)Br
SMILESOpenEye OEToolkits3.1.0.0c1ccc2c(c1)cc(cc2C(=O)Nc3ccc4c(c3)CNC4)Br

251801

PDB entries from 2026-04-08

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