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A1B8Q

Summary
Name:N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-1,2,3-benzotriazole-4-carboxamide
Formula:C15 H12 F N5 O
Formal charge:0
Formula weight:297.287 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-1,2,3-benzotriazole-4-carboxamide
OpenEye OEToolkits3.1.0.0~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-6-fluoranyl-1~{H}-benzotriazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1cc2CNCc2cc1)c1cc(F)cc2[NH]nnc12
InChIInChI1.06InChI=1S/C15H12FN5O/c16-10-4-12(14-13(5-10)19-21-20-14)15(22)18-11-2-1-8-6-17-7-9(8)3-11/h1-5,17H,6-7H2,(H,18,22)(H,19,20,21)
InChIKeyInChI1.06DHEAQALHKCHLOS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cc2[nH]nnc2c(c1)C(=O)Nc3ccc4CNCc4c3
SMILESCACTVS3.385Fc1cc2[nH]nnc2c(c1)C(=O)Nc3ccc4CNCc4c3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2c(cc1NC(=O)c3cc(cc4c3nn[nH]4)F)CNC2
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(cc1NC(=O)c3cc(cc4c3nn[nH]4)F)CNC2

257629

PDB entries from 2026-08-05

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