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

Systemtic Name: N-methyl-N-[2-(4-nitrophenyl)ethyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-methyl-N-[2-(4-nitrophenyl)ethyl]-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-methyl-N-[2-(4-nitrophenyl)ethyl]-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-methyl-N-[2-(4-nitrophenyl)ethyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-methyl-N-[2-(4-nitrophenyl)ethyl]-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CN(CCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O4S/c1-29(16-13-21-7-10-23(11-8-21)31(34)35)27(33)24-19-36-26(28-24)22-14-17-30(18-15-22)25(32)12-9-20-5-3-2-4-6-20/h2-8,10-11,19,22H,13-18H2,1H3