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5CN

Summary
Name:5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE
Formula:C19 H21 N3 O3
Formal charge:0
Formula weight:339.388 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-cyano-N-[5-(hydroxymethyl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
OpenEye OEToolkits1.5.05-cyano-N-[5-(hydroxymethyl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N#Cc3oc(C(=O)Nc2cc(ccc2N1CCC(C)CC1)CO)cc3
SMILES_CANONICALCACTVS3.341CC1CCN(CC1)c2ccc(CO)cc2NC(=O)c3oc(cc3)C#N
SMILESCACTVS3.341CC1CCN(CC1)c2ccc(CO)cc2NC(=O)c3oc(cc3)C#N
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO
SMILESOpenEye OEToolkits1.5.0CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO
InChIInChI1.03InChI=1S/C19H21N3O3/c1-13-6-8-22(9-7-13)17-4-2-14(12-23)10-16(17)21-19(24)18-5-3-15(11-20)25-18/h2-5,10,13,23H,6-9,12H2,1H3,(H,21,24)
InChIKeyInChI1.03NNPCFFIJVKYGHR-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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