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SummaryGeometryRelated PDB entries

A1B9C

Summary
Name:6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide
Formula:C17 H14 Br N3 O
Formal charge:0
Formula weight:356.217 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.526-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide
OpenEye OEToolkits3.1.0.06-bromanyl-~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-1~{H}-indole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Brc1cc(c2cc[NH]c2c1)C(=O)Nc1ccc2CNCc2c1
InChIInChI1.06InChI=1S/C17H14BrN3O/c18-12-6-15(14-3-4-20-16(14)7-12)17(22)21-13-2-1-10-8-19-9-11(10)5-13/h1-7,19-20H,8-9H2,(H,21,22)
InChIKeyInChI1.06BXMKAELKOMHUTP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Brc1cc2[nH]ccc2c(c1)C(=O)Nc3ccc4CNCc4c3
SMILESCACTVS3.385Brc1cc2[nH]ccc2c(c1)C(=O)Nc3ccc4CNCc4c3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2c(cc1NC(=O)c3cc(cc4c3cc[nH]4)Br)CNC2
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(cc1NC(=O)c3cc(cc4c3cc[nH]4)Br)CNC2

248942

PDB entries from 2026-02-11

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