3-phenyl-1-[4-[4-(4-pyrazin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-yn-1-one

Systemtic Name: 3-phenyl-1-[4-[4-(4-pyrazin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-yn-1-one Openeye Name: 3-phenyl-1-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiazol-2-yl]-1-piperidyl]prop-2-yn-1-one CAS Name: 1-[4-[4-[oxo-[4-(2-pyrazinyl)-1-piperazinyl]methyl]-2-thiazolyl]-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 3-phenyl-1-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-yn-1-one Traditional Name: 3-phenyl-1-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiazol-2-yl]piperidino]prop-2-yn-1-one Formula: C26H26N6O2S MolecularWeight: 486.58864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)N3CCN(CC3)C4=NC=CN=C4)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)N3CCN(CC3)C4=NC=CN=C4)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C26H26N6O2S/c33-24(7-6-20-4-2-1-3-5-20)31-12-8-21(9-13-31)25-29-22(19-35-25)26(34)32-16-14-30(15-17-32)23-18-27-10-11-28-23/h1-5,10-11,18-19,21H,8-9,12-17H2