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

Systemtic Name: N-(2-cyanoethyl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: N-(2-cyanoethyl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]-N-(3-pyridylmethyl)thiazole-4-carboxamide CAS Name: N-(2-cyanoethyl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-N-(3-pyridinylmethyl)-4-thiazolecarboxamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Traditional Name: N-(2-cyanoethyl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]-N-(3-pyridylmethyl)thiazole-4-carboxamide Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)N(CCC#N)CC3=CN=CC=C3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)N(CCC#N)CC3=CN=CC=C3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H25N5O2S/c28-13-5-15-32(19-22-8-4-14-29-18-22)27(34)24-20-35-26(30-24)23-11-16-31(17-12-23)25(33)10-9-21-6-2-1-3-7-21/h1-4,6-8,14,18,20,23H,5,11-12,15-17,19H2