[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-[5-(2-phenylethynyl)pyridin-3-yl]methanone

Systemtic Name: [4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-[5-(2-phenylethynyl)pyridin-3-yl]methanone Openeye Name: [4-(4-tert-butylthiazol-2-yl)-1-piperidyl]-[5-(2-phenylethynyl)-3-pyridyl]methanone CAS Name: [4-(4-tert-butyl-2-thiazolyl)-1-piperidinyl]-[5-(2-phenylethynyl)-3-pyridinyl]methanone IUPAC Name: [4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-[5-(2-phenylethynyl)pyridin-3-yl]methanone Traditional Name: [4-(4-tert-butylthiazol-2-yl)piperidino]-[5-(2-phenylethynyl)-3-pyridyl]methanone Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=CN=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=CN=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3OS/c1-26(2,3)23-18-31-24(28-23)21-11-13-29(14-12-21)25(30)22-15-20(16-27-17-22)10-9-19-7-5-4-6-8-19/h4-8,15-18,21H,11-14H2,1-3H3