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YT1

Summary
Name:PB28
Synonyms:1-cyclohexyl-4-{3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl}piperazine
Formula:C24 H38 N2 O
Formal charge:0
Formula weight:370.571 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-cyclohexyl-4-{3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl}piperazine
OpenEye OEToolkits2.0.71-cyclohexyl-4-[3-[(1~{R})-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COc1cccc2c1CCCC2CCCN1CCN(CC1)C1CCCCC1
InChIInChI1.03InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m1/s1
InChIKeyInChI1.03PHRCDWVPTULQMT-HXUWFJFHSA-N
SMILES_CANONICALCACTVS3.385COc1cccc2[C@@H](CCCN3CCN(CC3)C4CCCCC4)CCCc12
SMILESCACTVS3.385COc1cccc2[CH](CCCN3CCN(CC3)C4CCCCC4)CCCc12
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cccc2c1CCC[C@@H]2CCCN3CCN(CC3)C4CCCCC4
SMILESOpenEye OEToolkits2.0.7COc1cccc2c1CCCC2CCCN3CCN(CC3)C4CCCCC4

223532

數據於2024-08-07公開中

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