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

Systemtic Name: [5-(2-phenylethynyl)thiophen-2-yl]methyl 4-pyrazin-2-ylpiperazine-1-carboxylate Openeye Name: [5-(2-phenylethynyl)-2-thienyl]methyl 4-pyrazin-2-ylpiperazine-1-carboxylate CAS Name: 4-(2-pyrazinyl)-1-piperazinecarboxylic acid [5-(2-phenylethynyl)-2-thiophenyl]methyl ester IUPAC Name: [5-(2-phenylethynyl)thiophen-2-yl]methyl 4-pyrazin-2-ylpiperazine-1-carboxylate Traditional Name: 4-pyrazin-2-ylpiperazine-1-carboxylic acid [5-(2-phenylethynyl)-2-thienyl]methyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)C(=O)OCC3=CC=C(S3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)C(=O)OCC3=CC=C(S3)C#CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c27-22(26-14-12-25(13-15-26)21-16-23-10-11-24-21)28-17-20-9-8-19(29-20)7-6-18-4-2-1-3-5-18/h1-5,8-11,16H,12-15,17H2