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CQN

Summary
Name:Bepridil
Formula:C24 H34 N2 O
Formal charge:0
Formula weight:366.54 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-[(2~{R})-3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-~{N}-(phenylmethyl)aniline

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24-/m1/s1
InChIKeyInChI1.03UIEATEWHFDRYRU-XMMPIXPASA-N
SMILES_CANONICALCACTVS3.385CC(C)COC[C@@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3
SMILESCACTVS3.385CC(C)COC[CH](CN(Cc1ccccc1)c2ccccc2)N3CCCC3
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)COC[C@@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3
SMILESOpenEye OEToolkits2.0.6CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3

218196

PDB entries from 2024-04-10

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