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SummaryGeometryRelated PDB entries

A1JDP

Summary
Name:~{N}-(2-methoxyethyl)-~{N}-[[(3~{R})-1-prop-2-ynylpyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
Formula:C22 H26 N2 O2
Formal charge:0
Formula weight:350.454 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(2-methoxyethyl)-~{N}-[[(3~{R})-1-prop-2-ynylpyrrolidin-3-yl]methyl]naphthalene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H26N2O2/c1-3-11-23-12-10-18(16-23)17-24(13-14-26-2)22(25)21-9-8-19-6-4-5-7-20(19)15-21/h1,4-9,15,18H,10-14,16-17H2,2H3
InChIKeyInChI1.06PEDMWTLVZNXASH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCCN(C[C@@H]1CCN(CC#C)C1)C(=O)c2ccc3ccccc3c2
SMILESCACTVS3.385COCCN(C[CH]1CCN(CC#C)C1)C(=O)c2ccc3ccccc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.7COCCN(C[C@@H]1CCN(C1)CC#C)C(=O)c2ccc3ccccc3c2
SMILESOpenEye OEToolkits2.0.7COCCN(CC1CCN(C1)CC#C)C(=O)c2ccc3ccccc3c2

251174

PDB entries from 2026-03-25

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