N,N-diethyl-2-[4-[4-(2-phenylethynyl)phenyl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[4-(2-phenylethynyl)phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[4-(2-phenylethynyl)benzoyl]piperazin-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[oxo-[4-(2-phenylethynyl)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[4-(2-phenylethynyl)benzoyl]piperazin-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[4-(2-phenylethynyl)benzoyl]piperazino]acetamide Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O2/c1-3-27(4-2)24(29)20-26-16-18-28(19-17-26)25(30)23-14-12-22(13-15-23)11-10-21-8-6-5-7-9-21/h5-9,12-15H,3-4,16-20H2,1-2H3