N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-isoquinolin-3-ylcarbonylpiperidin-4-yl)-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-isoquinolin-3-ylcarbonylpiperidin-4-yl)-6-methyl-pyridine-3-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-2-[1-[3-isoquinolinyl(oxo)methyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-nicotinamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C29H30N4O3S/c1-20-8-9-25(28(34)30-12-16-37-19-24-7-4-15-36-24)27(32-20)21-10-13-33(14-11-21)29(35)26-17-22-5-2-3-6-23(22)18-31-26/h2-9,15,17-18,21H,10-14,16,19H2,1H3,(H,30,34)