1-[5-(2-phenylethynyl)thiophen-2-yl]-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-[5-(2-phenylethynyl)thiophen-2-yl]-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-[5-(2-phenylethynyl)-2-thienyl]propan-1-one CAS Name: 1-[5-(2-phenylethynyl)-2-thiophenyl]-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-[5-(2-phenylethynyl)thiophen-2-yl]propan-1-one Traditional Name: 3-(4-benzylpiperazino)-1-[5-(2-phenylethynyl)-2-thienyl]propan-1-one Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC=C(S2)C#CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC=C(S2)C#CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H26N2OS/c29-25(26-14-13-24(30-26)12-11-22-7-3-1-4-8-22)15-16-27-17-19-28(20-18-27)21-23-9-5-2-6-10-23/h1-10,13-14H,15-21H2