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IR4

Summary
Name:1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone
Formula:C19 H19 N3 O2
Formal charge:0
Formula weight:321.373 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone
OpenEye OEToolkits1.7.61-(7-morpholin-4-yl-1-pyridin-2-yl-indolizin-3-yl)ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c2cc(c1ncccc1)c3cc(ccn23)N4CCOCC4)C
InChIInChI1.03InChI=1S/C19H19N3O2/c1-14(23)18-13-16(17-4-2-3-6-20-17)19-12-15(5-7-22(18)19)21-8-10-24-11-9-21/h2-7,12-13H,8-11H2,1H3
InChIKeyInChI1.03JNCJVBDKESBLNW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CC(=O)c1cc(c2ccccn2)c3cc(ccn13)N4CCOCC4
SMILESCACTVS3.370CC(=O)c1cc(c2ccccn2)c3cc(ccn13)N4CCOCC4
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4ccccn4
SMILESOpenEye OEToolkits1.7.6CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4ccccn4

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PDB entries from 2024-08-07

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