3-phenyl-1-[4-[4-(4-pyridin-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-pyridin-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-(2-pyridyl)piperazine-1-carbonyl]thiazol-2-yl]-1-piperidyl]prop-2-yn-1-one CAS Name: 1-[4-[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-thiazolyl]-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 3-phenyl-1-[4-[4-(4-pyridin-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-(2-pyridyl)piperazine-1-carbonyl]thiazol-2-yl]piperidino]prop-2-yn-1-one Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)N3CCN(CC3)C4=CC=CC=N4)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)N3CCN(CC3)C4=CC=CC=N4)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2S/c33-25(10-9-21-6-2-1-3-7-21)31-14-11-22(12-15-31)26-29-23(20-35-26)27(34)32-18-16-30(17-19-32)24-8-4-5-13-28-24/h1-8,13,20,22H,11-12,14-19H2