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

Systemtic Name: N-(2-methylquinolin-4-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(2-methyl-4-quinolyl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(2-methyl-4-quinolinyl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(2-methylquinolin-4-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(2-methyl-4-quinolyl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C28H24N4O2S MolecularWeight: 480.58076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C28H24N4O2S/c1-19-17-24(22-9-5-6-10-23(22)29-19)30-27(34)25-18-35-28(31-25)21-13-15-32(16-14-21)26(33)12-11-20-7-3-2-4-8-20/h2-10,17-18,21H,13-16H2,1H3,(H,29,30,34)