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0LS

Summary
Name:N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-N-phenylaniline
Formula:C24 H25 Cl N2
Formal charge:0
Formula weight:376.922 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-N-phenylaniline
OpenEye OEToolkits1.7.64-chloranyl-N-phenyl-N-[[(3S,4S)-4-(phenylmethyl)pyrrolidin-3-yl]methyl]aniline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1)N(c2ccccc2)CC3C(CNC3)Cc4ccccc4
InChIInChI1.03InChI=1S/C24H25ClN2/c25-22-11-13-24(14-12-22)27(23-9-5-2-6-10-23)18-21-17-26-16-20(21)15-19-7-3-1-4-8-19/h1-14,20-21,26H,15-18H2/t20-,21+/m1/s1
InChIKeyInChI1.03FCWGSUKXROLTNW-RTWAWAEBSA-N
SMILES_CANONICALCACTVS3.370Clc1ccc(cc1)N(C[C@@H]2CNC[C@H]2Cc3ccccc3)c4ccccc4
SMILESCACTVS3.370Clc1ccc(cc1)N(C[CH]2CNC[CH]2Cc3ccccc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)C[C@@H]2CNC[C@H]2CN(c3ccccc3)c4ccc(cc4)Cl
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)CC2CNCC2CN(c3ccccc3)c4ccc(cc4)Cl

218853

PDB entries from 2024-04-24

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