[3-(2-phenylethynyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(2-phenylethynyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(2-phenylethynyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(2-phenylethynyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-(2-phenylethynyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(2-phenylethynyl)phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C23H20N4O MolecularWeight: 368.4311

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O/c28-22(26-14-16-27(17-15-26)23-24-12-5-13-25-23)21-9-4-8-20(18-21)11-10-19-6-2-1-3-7-19/h1-9,12-13,18H,14-17H2