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1BA

Summary
Name:4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE
Formula:C17 H20 N2 O2
Formal charge:0
Formula weight:284.353 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-hydroxy-N'-[4-(1-methylethyl)benzyl]benzohydrazide
OpenEye OEToolkits1.5.04-hydroxy-N'-[(4-propan-2-ylphenyl)methyl]benzohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1ccc(O)cc1)NNCc2ccc(cc2)C(C)C
SMILES_CANONICALCACTVS3.341CC(C)c1ccc(CNNC(=O)c2ccc(O)cc2)cc1
SMILESCACTVS3.341CC(C)c1ccc(CNNC(=O)c2ccc(O)cc2)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O
SMILESOpenEye OEToolkits1.5.0CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O
InChIInChI1.03InChI=1S/C17H20N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-10,12,18,20H,11H2,1-2H3,(H,19,21)
InChIKeyInChI1.03MFDXHRPPSJRQFX-UHFFFAOYSA-N

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PDB entries from 2024-07-10

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