3-(4-fluorophenyl)-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one

Systemtic Name: 3-(4-fluorophenyl)-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Openeye Name: 3-(4-fluorophenyl)-1-[4-(4-phenylthiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one CAS Name: 3-(4-fluorophenyl)-1-[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-fluorophenyl)-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Traditional Name: 3-(4-fluorophenyl)-1-[4-(4-phenylthiazol-2-yl)piperazino]prop-2-yn-1-one Formula: C22H18FN3OS MolecularWeight: 391.461223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=CS2)C3=CC=CC=C3)C(=O)C#CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=NC(=CS2)C3=CC=CC=C3)C(=O)C#CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3OS/c23-19-9-6-17(7-10-19)8-11-21(27)25-12-14-26(15-13-25)22-24-20(16-28-22)18-4-2-1-3-5-18/h1-7,9-10,16H,12-15H2