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FCC

Summary
Name:1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
Synonyms:Linopirdine
Formula:C26 H21 N3 O
Formal charge:0
Formula weight:391.464 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
InChIKeyInChI1.03YEJCDKJIEMIWRQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5
SMILESCACTVS3.385O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4ccncc4)Cc5ccncc5
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4ccncc4)Cc5ccncc5

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數據於2024-07-10公開中

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