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22Z

Summary
Name:4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
Formula:C19 H25 N5 O3
Formal charge:0
Formula weight:371.434 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
OpenEye OEToolkits1.7.24-(hexylamino)-5-nitro-2-(pyridin-3-ylmethylamino)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-][N+](=O)c2c(NCCCCCC)cc(NCc1cccnc1)c(C(=O)N)c2
SMILES_CANONICALCACTVS3.370CCCCCCNc1cc(NCc2cccnc2)c(cc1[N+]([O-])=O)C(N)=O
SMILESCACTVS3.370CCCCCCNc1cc(NCc2cccnc2)c(cc1[N+]([O-])=O)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.7.2CCCCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2
SMILESOpenEye OEToolkits1.7.2CCCCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2
InChIInChI1.03InChI=1S/C19H25N5O3/c1-2-3-4-5-9-22-17-11-16(23-13-14-7-6-8-21-12-14)15(19(20)25)10-18(17)24(26)27/h6-8,10-12,22-23H,2-5,9,13H2,1H3,(H2,20,25)
InChIKeyInChI1.03VYDLJENKOXKXDK-UHFFFAOYSA-N

248636

PDB entries from 2026-02-04

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