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

Systemtic Name: N-(2-cyanoethyl)-2-[1-(4-methoxyquinolin-2-yl)carbonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: N-(2-cyanoethyl)-2-[1-(4-methoxyquinoline-2-carbonyl)-4-piperidyl]-N-(3-pyridylmethyl)thiazole-4-carboxamide CAS Name: N-(2-cyanoethyl)-2-[1-[(4-methoxy-2-quinolinyl)-oxomethyl]-4-piperidinyl]-N-(3-pyridinylmethyl)-4-thiazolecarboxamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Traditional Name: N-(2-cyanoethyl)-2-[1-(4-methoxyquinoline-2-carbonyl)-4-piperidyl]-N-(3-pyridylmethyl)thiazole-4-carboxamide Formula: C29H28N6O3S MolecularWeight: 540.63602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCC(CC3)C4=NC(=CS4)C(=O)N(CCC#N)CC5=CN=CC=C5

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCC(CC3)C4=NC(=CS4)C(=O)N(CCC#N)CC5=CN=CC=C5

InChI

InChI=1S/C29H28N6O3S/c1-38-26-16-24(32-23-8-3-2-7-22(23)26)28(36)34-14-9-21(10-15-34)27-33-25(19-39-27)29(37)35(13-5-11-30)18-20-6-4-12-31-17-20/h2-4,6-8,12,16-17,19,21H,5,9-10,13-15,18H2,1H3