2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)pyridine-3-carboxamide

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)pyridine-3-carboxamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-[5-(1-piperidyl)-8-isoquinolyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)pyridine-3-carboxamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-(5-piperidino-8-isoquinolyl)nicotinamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

InChI

InChI=1S/C25H25N5O2S/c1-17-14-18(29-32-17)16-33-25-20(6-5-10-27-25)24(31)28-22-7-8-23(30-12-3-2-4-13-30)19-9-11-26-15-21(19)22/h5-11,14-15H,2-4,12-13,16H2,1H3,(H,28,31)