N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2S/c1-25(2,3)20-15-21(29-28-20)27-23(32)19-16-33-24(26-19)18-11-13-30(14-12-18)22(31)10-9-17-7-5-4-6-8-17/h4-8,15-16,18H,11-14H2,1-3H3,(H2,27,28,29,32)