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HIH

Summary
Name:ethyl 1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate
Formula:C23 H27 N3 O2
Formal charge:0
Formula weight:377.479 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7ethyl 1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H27N3O2/c1-2-28-23(27)22-16-20-15-19(18-7-12-25-13-8-18)3-4-21(20)26(22)14-9-17-5-10-24-11-6-17/h3-4,7-8,12-13,15-17,24H,2,5-6,9-11,14H2,1H3
InChIKeyInChI1.06WFSAKSOITHNEMN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4
SMILESCACTVS3.385CCOC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4
SMILESOpenEye OEToolkits2.0.7CCOC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4

221051

PDB entries from 2024-06-12

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