prop-2-ynyl 4-[4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[4-(2-pyridyl)piperazine-1-carbonyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-(2-pyridyl)piperazine-1-carbonyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H25N5O3S/c1-2-15-30-22(29)27-9-6-17(7-10-27)20-24-18(16-31-20)21(28)26-13-11-25(12-14-26)19-5-3-4-8-23-19/h1,3-5,8,16-17H,6-7,9-15H2