[5-(2-phenylethynyl)thiophen-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate

Systemtic Name: [5-(2-phenylethynyl)thiophen-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate Openeye Name: [5-(2-phenylethynyl)-2-thienyl]methyl 4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(2-pyridinyl)-1-piperazinecarboxylic acid [5-(2-phenylethynyl)-2-thiophenyl]methyl ester IUPAC Name: [5-(2-phenylethynyl)thiophen-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 4-(2-pyridyl)piperazine-1-carboxylic acid [5-(2-phenylethynyl)-2-thienyl]methyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)OCC3=CC=C(S3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)OCC3=CC=C(S3)C#CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c27-23(26-16-14-25(15-17-26)22-8-4-5-13-24-22)28-18-21-12-11-20(29-21)10-9-19-6-2-1-3-7-19/h1-8,11-13H,14-18H2