2-(1-isoquinolin-3-ylcarbonylpiperidin-4-yl)-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

Systemtic Name: 2-(1-isoquinolin-3-ylcarbonylpiperidin-4-yl)-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide Openeye Name: 2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-N-[2-(2-thienyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[1-[3-isoquinolinyl(oxo)methyl]-4-piperidinyl]-6-methyl-N-(2-thiophen-2-ylethyl)-3-pyridinecarboxamide IUPAC Name: 2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide Traditional Name: 2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-N-[2-(2-thienyl)ethyl]nicotinamide Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCC2=CC=CS2)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCC2=CC=CS2)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C28H28N4O2S/c1-19-8-9-24(27(33)29-13-10-23-7-4-16-35-23)26(31-19)20-11-14-32(15-12-20)28(34)25-17-21-5-2-3-6-22(21)18-30-25/h2-9,16-18,20H,10-15H2,1H3,(H,29,33)