3-phenyl-1-(4-thiophen-3-ylpiperazin-1-yl)prop-2-yn-1-one

Systemtic Name: 3-phenyl-1-(4-thiophen-3-ylpiperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-phenyl-1-[4-(3-thienyl)piperazin-1-yl]prop-2-yn-1-one CAS Name: 3-phenyl-1-[4-(3-thiophenyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-phenyl-1-(4-thiophen-3-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-phenyl-1-[4-(3-thienyl)piperazino]prop-2-yn-1-one Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CSC=C2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CSC=C2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C17H16N2OS/c20-17(7-6-15-4-2-1-3-5-15)19-11-9-18(10-12-19)16-8-13-21-14-16/h1-5,8,13-14H,9-12H2