N-(2-fluoranyl-4-methyl-phenyl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(2-fluoranyl-4-methyl-phenyl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(2-fluoro-4-methyl-phenyl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(2-fluoro-4-methylphenyl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(2-fluoro-4-methylphenyl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(2-fluoro-4-methyl-phenyl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4)F

InChI

InChI=1S/C25H22FN3O2S/c1-17-7-9-21(20(26)15-17)27-24(31)22-16-32-25(28-22)19-11-13-29(14-12-19)23(30)10-8-18-5-3-2-4-6-18/h2-7,9,15-16,19H,11-14H2,1H3,(H,27,31)