4-(furan-2-ylmethyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-(furan-2-ylmethyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-(2-furylmethyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]piperazine-1-carboxamide CAS Name: 4-(2-furanylmethyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(furan-2-ylmethyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-(2-furfuryl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]piperazine-1-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CO2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC=CO2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C22H21N3O2S/c26-22(25-12-10-24(11-13-25)17-20-6-2-14-27-20)23-19-5-1-4-18(16-19)8-9-21-7-3-15-28-21/h1-7,14-16H,10-13,17H2,(H,23,26)