2-morpholin-4-yl-1-[4-[4-(2-phenylethynyl)phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-morpholin-4-yl-1-[4-[4-(2-phenylethynyl)phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 2-morpholino-1-[4-[4-(2-phenylethynyl)benzoyl]piperazin-1-yl]ethanone CAS Name: 2-(4-morpholinyl)-1-[4-[oxo-[4-(2-phenylethynyl)phenyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 2-morpholin-4-yl-1-[4-[4-(2-phenylethynyl)benzoyl]piperazin-1-yl]ethanone Traditional Name: 2-morpholino-1-[4-[4-(2-phenylethynyl)benzoyl]piperazino]ethanone Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2CCOCC2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2CCOCC2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c29-24(20-26-16-18-31-19-17-26)27-12-14-28(15-13-27)25(30)23-10-8-22(9-11-23)7-6-21-4-2-1-3-5-21/h1-5,8-11H,12-20H2