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

Systemtic Name: phenyl-[4-[4-(2-phenylethynyl)phenyl]carbonylpiperazin-1-yl]methanone Openeye Name: phenyl-[4-[4-(2-phenylethynyl)benzoyl]piperazin-1-yl]methanone CAS Name: [4-[oxo-[4-(2-phenylethynyl)phenyl]methyl]-1-piperazinyl]-phenylmethanone IUPAC Name: phenyl-[4-[4-(2-phenylethynyl)benzoyl]piperazin-1-yl]methanone Traditional Name: phenyl-[4-[4-(2-phenylethynyl)benzoyl]piperazino]methanone Formula: C26H22N2O2 MolecularWeight: 394.46508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O2/c29-25(23-9-5-2-6-10-23)27-17-19-28(20-18-27)26(30)24-15-13-22(14-16-24)12-11-21-7-3-1-4-8-21/h1-10,13-16H,17-20H2