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SummaryGeometryRelated PDB entries

6YC

Summary
Name:~{N}-(2-methoxyethyl)-~{N}-[[(3~{S})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide
Formula:C23 H28 N2 O2
Formal charge:0
Formula weight:364.481 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.5~{N}-(2-methoxyethyl)-~{N}-[[(3~{S})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H28N2O2/c1-3-12-24-13-6-7-19(17-24)18-25(14-15-27-2)23(26)22-11-10-20-8-4-5-9-21(20)16-22/h1,4-5,8-11,16,19H,6-7,12-15,17-18H2,2H3/t19-/m0/s1
InChIKeyInChI1.03FTXYXGOUTSVXAQ-IBGZPJMESA-N
SMILES_CANONICALCACTVS3.385COCCN(C[C@H]1CCCN(CC#C)C1)C(=O)c2ccc3ccccc3c2
SMILESCACTVS3.385COCCN(C[CH]1CCCN(CC#C)C1)C(=O)c2ccc3ccccc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.5COCCN(C[C@H]1CCCN(C1)CC#C)C(=O)c2ccc3ccccc3c2
SMILESOpenEye OEToolkits2.0.5COCCN(CC1CCCN(C1)CC#C)C(=O)c2ccc3ccccc3c2

223166

PDB entries from 2024-07-31

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