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

Systemtic Name: [2-(2-phenylethynyl)pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(2-phenylethynyl)-4-pyridyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(2-phenylethynyl)-4-pyridinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(2-phenylethynyl)pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(2-phenylethynyl)-4-pyridyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H19N5O MolecularWeight: 369.41916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O/c28-21(26-13-15-27(16-14-26)22-24-10-4-11-25-22)19-9-12-23-20(17-19)8-7-18-5-2-1-3-6-18/h1-6,9-12,17H,13-16H2