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

Systemtic Name: 2-[1-(1-benzofuran-2-ylcarbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(benzofuran-2-carbonyl)-4-piperidyl]-N-(2-cyanoethyl)-N-(3-pyridylmethyl)thiazole-4-carboxamide CAS Name: 2-[1-[2-benzofuranyl(oxo)methyl]-4-piperidinyl]-N-(2-cyanoethyl)-N-(3-pyridinylmethyl)-4-thiazolecarboxamide IUPAC Name: 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-(benzofuran-2-carbonyl)-4-piperidyl]-N-(2-cyanoethyl)-N-(3-pyridylmethyl)thiazole-4-carboxamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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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)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)N(CCC#N)CC3=CN=CC=C3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H25N5O3S/c28-10-4-12-32(17-19-5-3-11-29-16-19)26(33)22-18-36-25(30-22)20-8-13-31(14-9-20)27(34)24-15-21-6-1-2-7-23(21)35-24/h1-3,5-7,11,15-16,18,20H,4,8-9,12-14,17H2