[5-(2-phenylethynyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [5-(2-phenylethynyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-yl-methanone Openeye Name: [5-(2-phenylethynyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(1-piperidyl)methanone CAS Name: [5-(2-phenylethynyl)-2-pyrazolo[1,5-a]pyrimidinyl]-(1-piperidinyl)methanone IUPAC Name: [5-(2-phenylethynyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone Traditional Name: [5-(2-phenylethynyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidino-methanone Formula: C20H18N4O MolecularWeight: 330.38312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=NN3C=CC(=NC3=C2)C#CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=NN3C=CC(=NC3=C2)C#CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O/c25-20(23-12-5-2-6-13-23)18-15-19-21-17(11-14-24(19)22-18)10-9-16-7-3-1-4-8-16/h1,3-4,7-8,11,14-15H,2,5-6,12-13H2