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BI5

Summary
Name:4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE
Formula:C19 H16 N2 O2
Formal charge:0
Formula weight:304.343 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-phenoxy-N-(pyridin-2-ylmethyl)benzamide
OpenEye OEToolkits1.5.04-phenoxy-N-(pyridin-2-ylmethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NCc1ncccc1)c3ccc(Oc2ccccc2)cc3
SMILES_CANONICALCACTVS3.341O=C(NCc1ccccn1)c2ccc(Oc3ccccc3)cc2
SMILESCACTVS3.341O=C(NCc1ccccn1)c2ccc(Oc3ccccc3)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3
InChIInChI1.03InChI=1S/C19H16N2O2/c22-19(21-14-16-6-4-5-13-20-16)15-9-11-18(12-10-15)23-17-7-2-1-3-8-17/h1-13H,14H2,(H,21,22)
InChIKeyInChI1.03HVLSCZSVTCNAQX-UHFFFAOYSA-N

226707

數據於2024-10-30公開中

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