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Summary
Name:2-[4-[(2~{R})-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]pyridine
Formula:C21 H26 Cl N3
Formal charge:0
Formula weight:355.904 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[4-[(2~{R})-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H26ClN3/c22-18-8-6-17(7-9-18)16-20-4-3-13-25(20)19-10-14-24(15-11-19)21-5-1-2-12-23-21/h1-2,5-9,12,19-20H,3-4,10-11,13-16H2/t20-/m1/s1
InChIKeyInChI1.06XCVVDQHGTQAUAD-HXUWFJFHSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc(C[C@H]2CCCN2C3CCN(CC3)c4ccccn4)cc1
SMILESCACTVS3.385Clc1ccc(C[CH]2CCCN2C3CCN(CC3)c4ccccn4)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccnc(c1)N2CCC(CC2)N3CCC[C@@H]3Cc4ccc(cc4)Cl
SMILESOpenEye OEToolkits2.0.7c1ccnc(c1)N2CCC(CC2)N3CCCC3Cc4ccc(cc4)Cl

220472

PDB entries from 2024-05-29

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