N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(2-cyanoethyl)-N-(3-pyridylmethyl)-2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(2-cyanoethyl)-2-[1-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-piperidinyl]-N-(3-pyridinylmethyl)-4-thiazolecarboxamide IUPAC Name: N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(2-cyanoethyl)-N-(3-pyridylmethyl)-2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carboxamide Formula: C28H32N8O2S MolecularWeight: 544.67108

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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)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)N(CCC#N)CC3=CN=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H32N8O2S/c29-9-4-12-36(20-22-5-3-10-30-19-22)27(37)24-21-39-26(32-24)23-7-13-34(14-8-23)28(38)35-17-15-33(16-18-35)25-6-1-2-11-31-25/h1-3,5-6,10-11,19,21,23H,4,7-8,12-18,20H2